Glycoside
GD012783
Name:
2-(3,4-dimethoxyphenyl)-5-methoxy-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C30H36O15Smiles:
COc1ccc(-c2cc(=O)c3c(OC)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1OCAglycone:
COc1ccc(-c2cc(=O)c3c(OC)cc(O)cc3o2)cc1OCSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 636.6 | Num_heavy_atoms: | 45 |
| TPSA: | 216.2 | NumAromaticRings: | 3 |
Unique Aglycone
AD09602
Formula: C18H16O6
Smiles:
COc1ccc(-c2cc(=O)c3c(OC)cc(O)cc3o2)cc1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 328.32 | Num_heavy_atoms: | 24 |
| TPSA: | 78.13 | NumAromaticRings: | 3 |
