Glycoside
GD008061
Name:
NoneFormula:
C31H62O14N10Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2OCC(=O)NCCCNC(=O)CO[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@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(OCC(=O)NCCCNC(=O)COC2C(O)C(N)CC(N)C2O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 4 |
| HBD: | 24 | FractionCSP3: | 0.94 |
| AlogP: | -10.55 | Num_rotatable_bonds: | 16 |
| MolWt: | 798.89 | Num_heavy_atoms: | 55 |
| TPSA: | 443.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD06487
Formula: C19H38O8N6
Smiles:
NC1CC(N)C(O)C(OCC(=O)NCCCNC(=O)COC2C(O)C(N)CC(N)C2O)C1O| HBA: | 14 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.89 |
| AlogP: | -6.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 478.55 | Num_heavy_atoms: | 33 |
| TPSA: | 261.66 | NumAromaticRings: | 0 |
