Glycoside
GD025938
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-oneFormula:
C29H32O17Smiles:
COc1cc(-c2oc3cc4c(c(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)OCO4)ccc1OAglycone:
COc1cc(-c2oc3cc4c(c(O)c3c(=O)c2O)OCO4)ccc1OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 652.56 | Num_heavy_atoms: | 46 |
| TPSA: | 256.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD17139
Formula: C17H12O8
Smiles:
COc1cc(-c2oc3cc4c(c(O)c3c(=O)c2O)OCO4)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 344.28 | Num_heavy_atoms: | 25 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
