Glycoside
GD034727
Name:
NoneFormula:
C23H22O12Smiles:
CCOC(=O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCOC=O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 490.42 | Num_heavy_atoms: | 35 |
| TPSA: | 196.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD00690
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
AD10917
Formula: C3H6O2
Smiles:
CCOC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
