Glycoside
GD135498
Name:
({3-[3-(decanoyloxy)dodecanamido]-6-[({3-[3-(dodecanoyloxy)dodecanamido]-4-[(3-hydroxydodecanoyl)oxy]-6-(hydroxymethyl)-5-(phosphonooxy)oxan-2-yl}oxy)methyl]-4,5-dihydroxyoxan-2-yl}oxy)phosphonic acidFormula:
C70H132O23N2P2Smiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCC)CC(O)=NC1C(OCC2OC(OP(=O)(O)O)C(N=C(O)CC(CCCCCCCCC)OC(=O)CCCCCCCCC)C(O)C2O)OC(CO)C(OP(=O)(O)O)C1OC(=O)CC(O)CCCCCCCCCAglycone:
CCCCCCCCCC(=O)OC(CCCCCCCCC)CC(=N)O.CCCCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(=O)OC(CCCCCCCCC)CC(=N)O.O=P(O)(O)O.O=P(O)(O)OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.93 |
| AlogP: | 14.15 | Num_rotatable_bonds: | 61 |
| MolWt: | 1431.76 | Num_heavy_atoms: | 97 |
| TPSA: | 386.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD54785
Formula: C22H43O3N
Smiles:
CCCCCCCCCC(=O)OC(CCCCCCCCC)CC(=N)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 7.1 | Num_rotatable_bonds: | 19 |
| MolWt: | 369.59 | Num_heavy_atoms: | 26 |
| TPSA: | 70.38 | NumAromaticRings: | 0 |
AD54786
Formula: C12H24O3
Smiles:
CCCCCCCCCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 10 |
| MolWt: | 216.32 | Num_heavy_atoms: | 15 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD54787
Formula: C24H47O3N
Smiles:
CCCCCCCCCCCC(=O)OC(CCCCCCCCC)CC(=N)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 7.89 | Num_rotatable_bonds: | 21 |
| MolWt: | 397.64 | Num_heavy_atoms: | 28 |
| TPSA: | 70.38 | NumAromaticRings: | 0 |
