Glycoside
GD018563
Name:
RENIEROSIDE B2Formula:
C51H93O9NSmiles:
CCCCCCCC=CC(C)=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)CCCCCCCCCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCC=CC(C)=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | 9.98 | Num_rotatable_bonds: | 40 |
| MolWt: | 864.3 | Num_heavy_atoms: | 61 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD13074
Formula: C45H83O4N
Smiles:
CCCCCCCC=CC(C)=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 12.15 | Num_rotatable_bonds: | 37 |
| MolWt: | 702.16 | Num_heavy_atoms: | 50 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
