Glycoside
GD007224
Name:
RENIEROSIDE A5Formula:
C48H89O9NSmiles:
CCCCCCCC=CC=CCCC=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)CCCCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCC=CC=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 9.03 | Num_rotatable_bonds: | 39 |
| MolWt: | 824.24 | Num_heavy_atoms: | 58 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD05896
Formula: C42H79O4N
Smiles:
CCCCCCCC=CC=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 11.21 | Num_rotatable_bonds: | 36 |
| MolWt: | 662.1 | Num_heavy_atoms: | 47 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
