Glycoside
GD138082
Name:
8-O-Î’-D-Gentiobioside Of Xanthorin 1-O-Methyl EtherFormula:
C29H34O16Smiles:
COc1cc(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)c2c(c1O)C(=O)c1cc(C)cc(OC)c1C2=OAglycone:
COc1cc(O)c2c(c1O)C(=O)c1cc(C)cc(OC)c1C2=OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD55755
Formula: C17H14O6
Smiles:
COc1cc(O)c2c(c1O)C(=O)c1cc(C)cc(OC)c1C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 93.06 | NumAromaticRings: | 2 |
