Glycoside
GD140434
Name:
ethyl 3-[7-methoxy-3-(5-oxopyrrolidin-3-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)-3-(3-hydroxypropyl)oxan-2-yl]oxy}-1-benzofuran-5-yl]propanoateFormula:
C27H37O12NSmiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OC)c1OC1OC(CO)C(O)C(O)C1(O)CCCOAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OC)c1OSugarmoiety:
OCCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 12 |
| MolWt: | 567.59 | Num_heavy_atoms: | 40 |
| 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 |
