Glycoside
GD002195
Name:
NoneFormula:
C33H36O12Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2c(-c3ccc(CC(C)C)cc3)oc3ccccc3c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(C)Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 4.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 624.64 | Num_heavy_atoms: | 45 |
| TPSA: | 153.87 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD02123
Formula: C19H18O3
Smiles:
CC(C)Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 4.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.35 | Num_heavy_atoms: | 22 |
| TPSA: | 50.44 | NumAromaticRings: | 3 |
