Glycoside
GD151402
Name:
ethyl 3-{7-[2-(methylamino)ethoxy]-6-({3,4,5-trihydroxy-3-[3-hydroxy-2-(hydroxymethyl)propyl]-6-(hydroxymethyl)oxan-2-yl}oxy)-1-benzofuran-5-yl}propanoateFormula:
C26H39O12NSmiles:
CCOC(=O)CCc1cc2ccoc2c(OCCNC)c1OC1OC(CO)C(O)C(O)C1(O)CC(CO)COAglycone:
CC(CO)CO.CCOC(=O)CCc1cc2ccoc2c(OCCNC)c1OSugarmoiety:
OCC1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 15 |
| MolWt: | 557.59 | Num_heavy_atoms: | 39 |
| TPSA: | 200.54 | 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 |
AD48536
Formula: C4H10O2
Smiles:
CC(CO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 90.12 | Num_heavy_atoms: | 6 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
