Glycoside
GD144991
Name:
Clostrubin BFormula:
C31H28O11Smiles:
COCC(O)C(O)C(O)C(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(C)c3c1c-2c(O)c1c(O)c(C(C)=O)ccc13Aglycone:
CC(=O)c1ccc2c(c1O)c(O)c1c3c(c(O)cc(C)c32)C(=O)c2c(O)cc(C)cc2-1Sugarmoiety:
COCC(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.26 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.55 | Num_heavy_atoms: | 42 |
| TPSA: | 202.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD58226
Formula: C25H18O6
Smiles:
CC(=O)c1ccc2c(c1O)c(O)c1c3c(c(O)cc(C)c32)C(=O)c2c(O)cc(C)cc2-1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 4.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 414.41 | Num_heavy_atoms: | 31 |
| TPSA: | 115.06 | NumAromaticRings: | 4 |
