Glycoside
GD010961
Name:
NoneFormula:
C28H32O12Smiles:
COCCOC(=O)OC[C@@H]1O[C@H](Oc2cc(C)cc(O)c2C(=O)CCc2ccc3occc3c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
COCCOC(=O)OC.Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 11 |
| MolWt: | 560.55 | Num_heavy_atoms: | 40 |
| TPSA: | 174.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD02786
Formula: C18H16O4
Smiles:
Cc1cc(O)c(C(=O)CCc2ccc3occc3c2)c(O)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 4 |
| MolWt: | 296.32 | Num_heavy_atoms: | 22 |
| TPSA: | 70.67 | NumAromaticRings: | 3 |
AD08407
Formula: C5H10O4
Smiles:
COCCOC(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.13 | Num_heavy_atoms: | 9 |
| TPSA: | 44.76 | NumAromaticRings: | 0 |
