Glycoside
GD108070
Name:
NoneFormula:
C24H27O11NSmiles:
CC(=O)N[C@@H]1[C@H](Oc2ccc3c(C)cc(=O)oc3c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Cc1cc(=O)oc2cc(O)ccc12Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 505.48 | Num_heavy_atoms: | 36 |
| TPSA: | 156.67 | NumAromaticRings: | 2 |
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 |
AD00685
Formula: C10H8O3
Smiles:
Cc1cc(=O)oc2cc(O)ccc12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
