Glycoside
GD033665
Name:
NoneFormula:
C33H34O17Smiles:
COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1OC1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 11 |
| MolWt: | 702.62 | Num_heavy_atoms: | 50 |
| TPSA: | 200.02 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02925
Formula: C19H16O8
Smiles:
COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 96.59 | NumAromaticRings: | 3 |
