Glycoside
GD079121
Name:
NoneFormula:
C16H19O8N5Smiles:
CC(=O)[C@H](O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@](O)(C(C)=O)[C@@]1(O)C(C)=OAglycone:
CC(=O)CO.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
CC(=O)C1(O)C(O)OC(O)C1(O)C(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 409.36 | Num_heavy_atoms: | 29 |
| TPSA: | 210.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD12135
Formula: C3H6O2
Smiles:
CC(=O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
