Glycoside
GD136507
Name:
methyl 7-(hydroxymethyl)-8-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-5-(3,4,5-trimethoxyphenyl)-2H,5H,6H,7H,8H-naphtho[2,3-d][1,3]dioxole-6-carboxylateFormula:
C35H46O19Smiles:
COC(=O)C1C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2C(OC2OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C2O)C1CO)OCO3Aglycone:
COC(=O)C1C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2C(O)C1CO)OCO3Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 12 |
| MolWt: | 770.73 | Num_heavy_atoms: | 54 |
| TPSA: | 271.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD55184
Formula: C23H26O9
Smiles:
COC(=O)C1C(c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2C(O)C1CO)OCO3| HBA: | 9 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.45 | Num_heavy_atoms: | 32 |
| TPSA: | 112.91 | NumAromaticRings: | 2 |
