Glycoside
GD156380
Name:
ethyl 3-{7-[2-(methylamino)ethoxy]-3-(5-oxopyrrolidin-3-yl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl}propanoateFormula:
C26H36O11N2Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OCCNC)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OCCNC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 552.58 | Num_heavy_atoms: | 39 |
| TPSA: | 192.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD61927
Formula: C20H26O6N2
Smiles:
CCOC(=O)CCc1cc2c(C3CN=C(O)C3)coc2c(OCCNC)c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 390.44 | Num_heavy_atoms: | 28 |
| TPSA: | 113.52 | NumAromaticRings: | 2 |
