Glycoside
GD155639
Name:
3-{[3,4-dihydroxy-5-(1-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)oxolan-2-yl]oxy}-7-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-oneFormula:
C34H42O21Smiles:
COc1cc(-c2oc3cc(OC4OC(C(C)O)C(O)C4O)cc(O)c3c(=O)c2OC2OC(C(O)COC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1OAglycone:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
CC(O)C1OC(O)C(O)C1O.OCC1OC(OCC(O)C2OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.56 |
| AlogP: | -3.91 | Num_rotatable_bonds: | 12 |
| MolWt: | 786.69 | Num_heavy_atoms: | 55 |
| TPSA: | 337.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD01682
Formula: C16H12O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
