Glycoside
GD093002
Name:
NoneFormula:
C21H27O9NSmiles:
CC(=O)N[C@@H]1[C@H](Oc2cccc(C)c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cc1cccc(O)c1Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.45 | Num_heavy_atoms: | 31 |
| TPSA: | 126.46 | NumAromaticRings: | 1 |
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 |
AD09006
Formula: C7H8O
Smiles:
Cc1cccc(O)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
