Glycoside
GD033010
Name:
ASTERIACEREBROSIDES BFormula:
C43H81O9NSmiles:
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)CCCCCCCCCCCCCCAglycone:
CCCCCCCCC=CCCCCCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 7.3 | Num_rotatable_bonds: | 35 |
| MolWt: | 756.12 | Num_heavy_atoms: | 53 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD21102
Formula: C37H71O4N
Smiles:
CCCCCCCCC=CCCCCCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 9.48 | Num_rotatable_bonds: | 32 |
| MolWt: | 593.98 | Num_heavy_atoms: | 42 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
