Glycoside
GD028438
Name:
NoneFormula:
C27H51O13N7Smiles:
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2OC(CN)=CC[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3N)[C@H]2O)[C@H]1OAglycone:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1OSugarmoiety:
NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 19 | FractionCSP3: | 0.89 |
| AlogP: | -7.84 | Num_rotatable_bonds: | 13 |
| MolWt: | 681.74 | Num_heavy_atoms: | 47 |
| TPSA: | 361.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD18575
Formula: C16H31O6N5
Smiles:
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)=CCC2N)C(O)C1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 12 | FractionCSP3: | 0.81 |
| AlogP: | -4.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 389.45 | Num_heavy_atoms: | 27 |
| TPSA: | 212.33 | NumAromaticRings: | 0 |
