Glycoside
GD121901
Name:
ethyl 3-(7-{2-[(4-methylpentyl)amino]ethoxy}-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-benzofuran-5-yl)propanoateFormula:
C27H41O10NSmiles:
CCOC(=O)CCc1cc2ccoc2c(OCCNCCCC(C)C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCOC(=O)CCc1cc2ccoc2c(OCCNCCCC(C)C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 15 |
| MolWt: | 539.62 | Num_heavy_atoms: | 38 |
| TPSA: | 160.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD49094
Formula: C21H31O5N
Smiles:
CCOC(=O)CCc1cc2ccoc2c(OCCNCCCC(C)C)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 12 |
| MolWt: | 377.48 | Num_heavy_atoms: | 27 |
| TPSA: | 80.93 | NumAromaticRings: | 2 |
