Glycoside
GD131089
Name:
AnhydroexfoliamycinFormula:
C22H26O8Smiles:
CCCC1OC(C)Cc2cc3c(c(O)c21)C(=O)C(C1OC(CO)C(O)C1O)=CC3=OAglycone:
CCCC1OC(C)Cc2cc3c(c(O)c21)C(=O)C=CC3=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 133.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD53117
Formula: C17H18O4
Smiles:
CCCC1OC(C)Cc2cc3c(c(O)c21)C(=O)C=CC3=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.41 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.33 | Num_heavy_atoms: | 21 |
| TPSA: | 63.6 | NumAromaticRings: | 1 |
