Glycoside
GD127880
Name:
3',4'-Demethoxynogalose-1-HydroxynogalamycinoneFormula:
C30H36O10Smiles:
COC1C(OC2CC(C)(O)C(C)c3cc4c(c(O)c32)C(=O)c2c(O)ccc(O)c2C4=O)OC(C)C(C)C1(C)OCAglycone:
CC1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)ccc(O)c1C3=OSugarmoiety:
COC1C(O)OC(C)C(C)C1(C)OCOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 556.61 | Num_heavy_atoms: | 40 |
| TPSA: | 151.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD51796
Formula: C20H18O7
Smiles:
CC1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)ccc(O)c1C3=O| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 370.36 | Num_heavy_atoms: | 27 |
| TPSA: | 135.29 | NumAromaticRings: | 2 |
