Glycoside
GD020218
Name:
RENIEROSIDE A2Formula:
C50H91O9NSmiles:
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)CCCCCCCCCCCCCCC=CCCCCCCCCAglycone:
CCCCCCCC=CC=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: | 9.59 | Num_rotatable_bonds: | 40 |
| MolWt: | 850.28 | Num_heavy_atoms: | 60 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD13993
Formula: C44H81O4N
Smiles:
CCCCCCCC=CC=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 11.76 | Num_rotatable_bonds: | 37 |
| MolWt: | 688.13 | Num_heavy_atoms: | 49 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
