Glycoside
GD118495
Name:
ethyl 3-{7-[2-(methylamino)ethoxy]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)-3-(3-hydroxypropyl)oxan-2-yl]oxy}-1-benzofuran-5-yl}propanoateFormula:
C25H37O11NSmiles:
CCOC(=O)CCc1cc2ccoc2c(OCCNC)c1OC1OC(CO)C(O)C(O)C1(O)CCCOAglycone:
CCOC(=O)CCc1cc2ccoc2c(OCCNC)c1OSugarmoiety:
OCCCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 14 |
| MolWt: | 527.57 | Num_heavy_atoms: | 37 |
| TPSA: | 180.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD47388
Formula: C16H21O5N
Smiles:
CCOC(=O)CCc1cc2ccoc2c(OCCNC)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 307.35 | Num_heavy_atoms: | 22 |
| TPSA: | 80.93 | NumAromaticRings: | 2 |
