Glycoside
GD035400
Name:
ASTERIACEREBROSIDE AFormula:
C42H79O9NSmiles:
CCCCCCCCC=CCCCCCCC=C[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 6.91 | Num_rotatable_bonds: | 34 |
| MolWt: | 742.09 | Num_heavy_atoms: | 52 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD22398
Formula: C36H69O4N
Smiles:
CCCCCCCCC=CCCCCCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 9.09 | Num_rotatable_bonds: | 31 |
| MolWt: | 579.95 | Num_heavy_atoms: | 41 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
