Glycoside
GD115237
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-hydroxy-6-(4-hydroxyphenyl)-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-oneFormula:
C28H30O17Smiles:
O=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc3c(c(O)c12)OCO3Aglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc3c(c(O)c12)OCO3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.53 | Num_heavy_atoms: | 45 |
| TPSA: | 267.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD45547
Formula: C16H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2cc3c(c(O)c12)OCO3| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 314.25 | Num_heavy_atoms: | 23 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
