Glycoside
GD017951
Name:
NoneFormula:
C68H127O17N2PSmiles:
CCCCCCCCCCC[C@@H](CC(=O)N[C@@H]1C(OC(=O)C[C@H](CCCCCCCCCCC)OC(=O)CCCCC)[C@@H](OP(=O)(O)O)C(CO)O[C@H]1OCCNC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCC)OC(=O)CCCCCAglycone:
CCCCCCCCCCCC(CC(=O)NCCO)OC(=O)CCCCC.CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCC.CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCC.O=P(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 15.12 | Num_rotatable_bonds: | 60 |
| MolWt: | 1275.73 | Num_heavy_atoms: | 88 |
| TPSA: | 268.85 | 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 |
AD05332
Formula: C20H38O4
Smiles:
CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 5.87 | Num_rotatable_bonds: | 17 |
| MolWt: | 342.52 | Num_heavy_atoms: | 24 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD05333
Formula: C20H39O3N
Smiles:
CCCCCCCCCCCC(CC(N)=O)OC(=O)CCCCC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 17 |
| MolWt: | 341.54 | Num_heavy_atoms: | 24 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD12748
Formula: C22H43O4N
Smiles:
CCCCCCCCCCCC(CC(=O)NCCO)OC(=O)CCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.91 |
| AlogP: | 4.9 | Num_rotatable_bonds: | 19 |
| MolWt: | 385.59 | Num_heavy_atoms: | 27 |
| TPSA: | 75.63 | NumAromaticRings: | 0 |
