Glycoside
GD130133
Name:
ethyl 1-(2-hydroxyethyl)-4-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6H,7H-naphtho[2,1-b]furan-7-carboxylateFormula:
C24H30O11Smiles:
CCOC(=O)C1C=Cc2c(c(OC3OC(CO)C(O)C(O)C3O)c(OC)c3occ(CCO)c23)C1Aglycone:
CCOC(=O)C1C=Cc2c(c(O)c(OC)c3occ(CCO)c23)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.49 | Num_heavy_atoms: | 35 |
| TPSA: | 168.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD52727
Formula: C18H20O6
Smiles:
CCOC(=O)C1C=Cc2c(c(O)c(OC)c3occ(CCO)c23)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 332.35 | Num_heavy_atoms: | 24 |
| TPSA: | 89.13 | NumAromaticRings: | 2 |
