Glycoside
GD133672
Name:
7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-4-oneFormula:
C34H42O20Smiles:
COc1cc(-c2cc(=O)c3c(OC4OC(C)C(O)C(O)C4O)cc(OC4OC(CO)C(OC5OCC(O)C(O)C5O)C(O)C4O)c(OC)c3o2)ccc1OAglycone:
COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.56 |
| AlogP: | -2.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 770.69 | Num_heavy_atoms: | 54 |
| TPSA: | 306.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD54087
Formula: C17H14O7
Smiles:
COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC)c3o2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
