Glycoside
GD036477
Name:
NoneFormula:
C24H30O13N6Smiles:
Cc1cn([C@@H]2C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]3O[C@H](n4cc(C)c(=O)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](CO)O2)c(=O)[nH]c1=OAglycone:
Cc1c[nH]c(=O)[nH]c1=O.Cc1cn(C2CC(NC(=O)C(CC(=O)O)NC=O)C(CO)O2)c(=O)[nH]c1=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -4.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.53 | Num_heavy_atoms: | 43 |
| TPSA: | 284.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00276
Formula: C5H6O2N2
Smiles:
Cc1c[nH]c(=O)[nH]c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 126.11 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | 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 |
