Glycoside
GD149491
Name:
2-{[2-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C25H31O13NSmiles:
COc1c2ccoc2nc2c(OC)c(OC3OC(CO)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)ccc12Aglycone:
COc1c2ccoc2nc2c(OC)c(O)ccc12Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 553.52 | Num_heavy_atoms: | 39 |
| TPSA: | 202.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD01645
Formula: C13H11O4N
Smiles:
COc1c2ccoc2nc2c(OC)c(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 245.23 | Num_heavy_atoms: | 18 |
| TPSA: | 64.72 | NumAromaticRings: | 3 |
