Glycoside
GD117977
Name:
Heraclenol 3'-O-Beta-D-GlucopyranosideFormula:
C22H26O11Smiles:
CC(C)(OC1OC(CO)C(O)C(O)C1O)C(O)COc1c2occc2cc2ccc(=O)oc12Aglycone:
CC(C)(O)C(O)COc1c2occc2cc2ccc(=O)oc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 172.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD45157
Formula: C16H16O6
Smiles:
CC(C)(O)C(O)COc1c2occc2cc2ccc(=O)oc12| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 93.04 | NumAromaticRings: | 3 |
