Glycoside
GD025263
Name:
SUBAVENOSIDE AFormula:
C23H26O8Smiles:
COc1cc2c(cc1O)-c1ccccc1CC=C2CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc2c(cc1O)-c1ccccc1CC=C2COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.45 | Num_heavy_atoms: | 31 |
| TPSA: | 128.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD16773
Formula: C17H16O3
Smiles:
COc1cc2c(cc1O)-c1ccccc1CC=C2CO| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.31 | Num_heavy_atoms: | 20 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
