Glycoside
GD147503
Name:
3,5,7,3',4'-Pentahydroxy-6-Methoxyflavan 3-O-[Glucopyranosyl-(4->1)-Alpha-D-Xylopyranoside]Formula:
C27H34O16Smiles:
COc1c(O)cc2c(c1O)CC(OC1OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C1O)C(c1ccc(O)c(O)c1)O2Aglycone:
COc1c(O)cc2c(c1O)CC(O)C(c1ccc(O)c(O)c1)O2Sugarmoiety:
OCC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 614.55 | Num_heavy_atoms: | 43 |
| TPSA: | 257.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD59069
Formula: C16H16O7
Smiles:
COc1c(O)cc2c(c1O)CC(O)C(c1ccc(O)c(O)c1)O2| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 2 |
