Glycoside
GD016666
Name:
NoneFormula:
C28H32O12Smiles:
CC(=O)Oc1c(C)c(OC(C)=O)c2cc(C)ccc2c1O[C@@H]1O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(=O)Oc1c(C)c(OC(C)=O)c2cc(C)ccc2c1OSugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 3.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.55 | Num_heavy_atoms: | 40 |
| TPSA: | 149.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD11968
Formula: C16H16O5
Smiles:
CC(=O)Oc1c(C)c(OC(C)=O)c2cc(C)ccc2c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 72.83 | NumAromaticRings: | 2 |
