Glycoside
GD150766
Name:
ExfoliamycinFormula:
C22H26O9Smiles:
CCCC1OC(C)(O)Cc2cc3c(c(O)c21)C(=O)C(C1OC(CO)C(O)C1O)=CC3=OAglycone:
CCCC1OC(C)(O)Cc2cc3c(c(O)c21)C(=O)C=CC3=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 4 |
| MolWt: | 434.44 | Num_heavy_atoms: | 31 |
| TPSA: | 153.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD60183
Formula: C17H18O5
Smiles:
CCCC1OC(C)(O)Cc2cc3c(c(O)c21)C(=O)C=CC3=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.41 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.33 | Num_heavy_atoms: | 22 |
| TPSA: | 83.83 | NumAromaticRings: | 1 |
