Glycoside
GD023479
Name:
NoneFormula:
C29H30O11N2Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Cc1ccc(-c2nnc(-c3ccc(O)cc3)o2)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 9 |
| MolWt: | 582.56 | Num_heavy_atoms: | 42 |
| TPSA: | 162.58 | 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 |
AD15783
Formula: C15H12O2N2
Smiles:
Cc1ccc(-c2nnc(-c3ccc(O)cc3)o2)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 2 |
| MolWt: | 252.27 | Num_heavy_atoms: | 19 |
| TPSA: | 59.15 | NumAromaticRings: | 3 |
