Glycoside
GD115381
Name:
Sibirioside AFormula:
C21H28O12Smiles:
O=C(C=Cc1ccccc1)OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(CO)(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -3.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 472.44 | Num_heavy_atoms: | 33 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
