Glycoside
GD115048
Name:
ethyl 3-(6-{[6-(dihydroxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-methoxy-3-(5-oxopyrrolidin-3-yl)-1-benzofuran-5-yl)propanoateFormula:
C24H31O12NSmiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OC)c1OC1OC(C(O)O)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OC)c1OSugarmoiety:
OC(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 9 |
| MolWt: | 525.51 | Num_heavy_atoms: | 37 |
| TPSA: | 200.87 | NumAromaticRings: | 2 |
Unique Aglycone
AD45442
Formula: C18H21O6N
Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OC)c1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 6 |
| MolWt: | 347.37 | Num_heavy_atoms: | 25 |
| TPSA: | 101.49 | NumAromaticRings: | 2 |
