Glycoside
GD120862
Name:
(6S)-HydroxyzofimarinFormula:
C33H46O10Smiles:
CC=CC=CC(=O)OC1C(O)C(OCC23CC4C(C)C(O)CC4C4(C=O)CC2C=C(C(C)C)C43C(=O)O)OC(C)C1OCAglycone:
CC(C)C1=CC2CC3(C=O)C4CC(O)C(C)C4CC2(CO)C13C(=O)O.CC=CC=CC(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 602.72 | Num_heavy_atoms: | 43 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD04690
Formula: C6H8O2
Smiles:
CC=CC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 112.13 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD46443
Formula: C20H28O5
Smiles:
CC(C)C1=CC2CC3(C=O)C4CC(O)C(C)C4CC2(CO)C13C(=O)O| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.44 | Num_heavy_atoms: | 25 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
