Glycoside
GD019447
Name:
NoneFormula:
C24H44O9N10Smiles:
NCCN(CC(=O)NCCN[C@H]1[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2N)[C@@H](N)C[C@@H](N)[C@H]1O)C(=O)Cn1ccc(=O)[nH]c1=OAglycone:
NCCN(CC(=O)NCCNC1C(O)C(N)CC(N)C1O)C(=O)Cn1ccc(=O)[nH]c1=OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.75 |
| AlogP: | -8.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 616.68 | Num_heavy_atoms: | 43 |
| TPSA: | 325.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD13572
Formula: C18H32O6N8
Smiles:
NCCN(CC(=O)NCCNC1C(O)C(N)CC(N)C1O)C(=O)Cn1ccc(=O)[nH]c1=O| HBA: | 14 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.67 |
| AlogP: | -5.82 | Num_rotatable_bonds: | 10 |
| MolWt: | 456.5 | Num_heavy_atoms: | 32 |
| TPSA: | 234.82 | NumAromaticRings: | 1 |
