Glycoside
GD001887
Name:
NoneFormula:
C42H42O5Smiles:
CCC[C@@H]1O[C@H](COCc2ccc3ccccc3c2)[C@H](OCc2ccc3ccccc3c2)[C@H](OCc2ccc3ccccc3c2)[C@H]1OAglycone:
COCc1ccc2ccccc2c1.OCc1ccc2ccccc2c1.OCc1ccc2ccccc2c1Sugarmoiety:
CCCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 8.76 | Num_rotatable_bonds: | 12 |
| MolWt: | 626.79 | Num_heavy_atoms: | 47 |
| TPSA: | 57.15 | NumAromaticRings: | 6 |
Unique Aglycone
AD01045
Formula: C11H10O
Smiles:
OCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 158.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 2 |
AD01842
Formula: C12H12O
Smiles:
COCc1ccc2ccccc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.23 | Num_heavy_atoms: | 13 |
| TPSA: | 9.23 | NumAromaticRings: | 2 |
