Glycoside
GD116316
Name:
2-(1,2-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-5-hydroxy-11-methyl-1H,2H,6H,11H-furo[2,3-c]acridin-6-oneFormula:
C25H29O11NSmiles:
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(O)(CO)COC1OC(CO)C(O)C(O)C1O)O3Aglycone:
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(O)(CO)CO)O3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 519.5 | Num_heavy_atoms: | 37 |
| TPSA: | 191.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD46163
Formula: C19H19O6N
Smiles:
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(O)(CO)CO)O3| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.36 | Num_heavy_atoms: | 26 |
| TPSA: | 112.15 | NumAromaticRings: | 3 |
