Glycoside
GD109550
Name:
NoneFormula:
C29H36O10N4Smiles:
CCC(=O)OC[C@@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H](Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCAglycone:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1CSugarmoiety:
CCC(=O)OCC(OC(=O)CC)C(OC(=O)CC)C(O)OC(=O)CCOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 13 |
| MolWt: | 600.63 | Num_heavy_atoms: | 43 |
| TPSA: | 185.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD07263
Formula: C13H12O2N4
Smiles:
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C)c2cc1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 256.26 | Num_heavy_atoms: | 19 |
| TPSA: | 80.64 | NumAromaticRings: | 1 |
