Glycoside
GD156567
Name:
Rs-DplaFormula:
C74H136O24N2P2Smiles:
CCCCCCC=CCCCCCC(=O)OC(CCCCCCCCCCC)CC(O)=NC1C(OCC2OC(OP(=O)(O)O)C(N=C(O)CC(=O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCC)C2O)OC(CO)C(OP(=O)(O)O)C1OC(=O)CC(O)CCCCCCCAglycone:
CCCCCCC=CCCCCCC(=O)OC(CCCCCCCCCCC)CC(=N)O.CCCCCCCC(O)CC(=O)O.CCCCCCCC(O)CC(=O)O.CCCCCCCCCCCC(=O)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: | 26 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 0.89 |
| AlogP: | 14.67 | Num_rotatable_bonds: | 64 |
| MolWt: | 1499.84 | Num_heavy_atoms: | 102 |
| TPSA: | 403.28 | 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 |
AD24708
Formula: C10H20O3
Smiles:
CCCCCCCC(O)CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 188.27 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD46579
Formula: C14H27O2N
Smiles:
CCCCCCCCCCCC(=O)CC(=N)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 12 |
| MolWt: | 241.37 | Num_heavy_atoms: | 17 |
| TPSA: | 61.15 | NumAromaticRings: | 0 |
AD61979
Formula: C28H53O3N
Smiles:
CCCCCCC=CCCCCCC(=O)OC(CCCCCCCCCCC)CC(=N)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 9.22 | Num_rotatable_bonds: | 24 |
| MolWt: | 451.74 | Num_heavy_atoms: | 32 |
| TPSA: | 70.38 | NumAromaticRings: | 0 |
