Glycoside
GD130111
Name:
Gravacridonediol GlucosideFormula:
C25H29O10NSmiles:
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(O)COC1OC(CO)C(O)C(O)C1O)O3Aglycone:
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(O)CO)O3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 503.5 | Num_heavy_atoms: | 36 |
| TPSA: | 171.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD52717
Formula: C19H19O5N
Smiles:
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)CC(C(C)(O)CO)O3| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 341.36 | Num_heavy_atoms: | 25 |
| TPSA: | 91.92 | NumAromaticRings: | 3 |
