Glycoside
GD123305
Name:
{6-[(2-{[9-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-1H,3H-naphtho[2,3-c]furan-4-yl]oxy}-4,5-dimethoxyoxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetateFormula:
C36H40O17Smiles:
COc1cc2c(OC3OCC(OC)C(OC)C3OC3OC(COC(C)=O)C(O)C(O)C3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Aglycone:
COC(C)=O.COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3Sugarmoiety:
COC1COC(O)C(OC2OC(O)C(O)C(O)C2O)C1OCOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 11 |
| MolWt: | 744.7 | Num_heavy_atoms: | 53 |
| TPSA: | 205.59 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00663
Formula: C21H16O7
Smiles:
COc1cc2c(O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3| HBA: | 7 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.19 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 380.35 | Num_heavy_atoms: | 28 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
