Glycoside
GD021807
Name:
NoneFormula:
C25H46O9N10Smiles:
Cc1cn(CC(=O)N(CCN)CC(=O)NCCN[C@H]2[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)c(=O)[nH]c1=OAglycone:
Cc1cn(CC(=O)N(CCN)CC(=O)NCCNC2C(O)C(N)CC(N)C2O)c(=O)[nH]c1=OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 16 | FractionCSP3: | 0.76 |
| AlogP: | -7.76 | Num_rotatable_bonds: | 13 |
| MolWt: | 630.7 | Num_heavy_atoms: | 44 |
| TPSA: | 325.55 | NumAromaticRings: | 1 |
Unique Aglycone
AD14851
Formula: C19H34O6N8
Smiles:
Cc1cn(CC(=O)N(CCN)CC(=O)NCCNC2C(O)C(N)CC(N)C2O)c(=O)[nH]c1=O| HBA: | 14 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.68 |
| AlogP: | -5.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 470.53 | Num_heavy_atoms: | 33 |
| TPSA: | 234.82 | NumAromaticRings: | 1 |
