Glycoside
GD036554
Name:
NoneFormula:
C24H29O11N9Smiles:
Cc1cn([C@@H]2C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)[C@H](CO)O2)c(=O)[nH]c1=OAglycone:
Cc1cn(C2CC(NC(=O)C(CC(=O)O)NC=O)C(CO)O2)c(=O)[nH]c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -4.39 | Num_rotatable_bonds: | 9 |
| MolWt: | 619.55 | Num_heavy_atoms: | 44 |
| TPSA: | 299.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD22999
Formula: C15H20O8N4
Smiles:
Cc1cn(C2CC(NC(=O)C(CC(=O)O)NC=O)C(CO)O2)c(=O)[nH]c1=O| HBA: | 12 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 8 |
| MolWt: | 384.35 | Num_heavy_atoms: | 27 |
| TPSA: | 179.82 | NumAromaticRings: | 1 |
