Glycoside
GD138162
Name:
3-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-chromen-4-oneFormula:
C30H36O18Smiles:
COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 10 |
| MolWt: | 684.6 | Num_heavy_atoms: | 48 |
| TPSA: | 276.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD51342
Formula: C18H16O8
Smiles:
COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2O)ccc1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
