Glycoside
GD030318
Name:
NoneFormula:
C33H66O14N10Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2OCC(=O)NCCCCCNC(=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)NCCCCCNC(=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: | -9.77 | Num_rotatable_bonds: | 18 |
| MolWt: | 826.95 | Num_heavy_atoms: | 57 |
| TPSA: | 443.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD19620
Formula: C21H42O8N6
Smiles:
NC1CC(N)C(O)C(OCC(=O)NCCCCCNC(=O)COC2C(O)C(N)CC(N)C2O)C1O| HBA: | 14 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.9 |
| AlogP: | -5.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 506.6 | Num_heavy_atoms: | 35 |
| TPSA: | 261.66 | NumAromaticRings: | 0 |
