Glycoside
GD006335
Name:
NoneFormula:
C32H32O12Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2c(-c3ccccc3)cc(O)c(-c3ccccc3)c2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Oc1cc(-c2ccccc2)c(O)c(O)c1-c1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 608.6 | Num_heavy_atoms: | 44 |
| TPSA: | 164.12 | 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 |
AD05258
Formula: C18H14O3
Smiles:
Oc1cc(-c2ccccc2)c(O)c(O)c1-c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 278.31 | Num_heavy_atoms: | 21 |
| TPSA: | 60.69 | NumAromaticRings: | 3 |
