Glycoside
GD004781
Name:
NoneFormula:
C33H30O12Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2c(-c3cccc4ccccc34)oc3ccccc3c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=c1c(O)c(-c2cccc3ccccc23)oc2ccccc12Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.59 | Num_heavy_atoms: | 45 |
| TPSA: | 153.87 | NumAromaticRings: | 4 |
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 |
AD04133
Formula: C19H12O3
Smiles:
O=c1c(O)c(-c2cccc3ccccc23)oc2ccccc12| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 4.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.3 | Num_heavy_atoms: | 22 |
| TPSA: | 50.44 | NumAromaticRings: | 4 |
