Glycoside
GD004171
Name:
NoneFormula:
C31H36O12Smiles:
COCc1c(C(=O)OC)c(-c2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1O[C@@H]1OC[C@H](OC)[C@H](OC)[C@H]1OCAglycone:
COCc1c(C(=O)OC)c(-c2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1OSugarmoiety:
COC1COC(O)C(OC)C1OCOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 11 |
| MolWt: | 600.62 | Num_heavy_atoms: | 43 |
| TPSA: | 118.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD03681
Formula: C23H22O8
Smiles:
COCc1c(C(=O)OC)c(-c2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.42 | Num_heavy_atoms: | 31 |
| TPSA: | 92.68 | NumAromaticRings: | 3 |
