Glycoside
GD033523
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-(3,4-dihydroxyphenyl)-9-hydroxy-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-oneFormula:
C28H30O17Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc5c(c(O)c4c3=O)OCO5)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc3c(c(O)c12)OCO3Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 638.53 | Num_heavy_atoms: | 45 |
| TPSA: | 267.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD19416
Formula: C16H10O8
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc3c(c(O)c12)OCO3| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 330.25 | Num_heavy_atoms: | 24 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
