Glycoside
GD107309
Name:
NoneFormula:
C24H27O10N5Smiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](On2nnc3c(-c4ccccc4)c(C)nn32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Cc1nn2c(nnn2O)c1-c1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.46 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 8 |
| MolWt: | 545.51 | Num_heavy_atoms: | 39 |
| TPSA: | 171.67 | 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 |
AD44295
Formula: C10H9ON5
Smiles:
Cc1nn2c(nnn2O)c1-c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 215.22 | Num_heavy_atoms: | 16 |
| TPSA: | 68.24 | NumAromaticRings: | 3 |
