Glycoside
GD004394
Name:
NoneFormula:
C31H57O13N11Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](Cn3cc(CNC(=O)[C@@H]4CCCN4)nn3)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
Cn1cc(CNC(=O)C2CCCN2)nn1.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 20 | FractionCSP3: | 0.9 |
| AlogP: | -9.23 | Num_rotatable_bonds: | 13 |
| MolWt: | 791.86 | Num_heavy_atoms: | 55 |
| TPSA: | 404.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD03845
Formula: C9H15ON5
Smiles:
Cn1cc(CNC(=O)C2CCCN2)nn1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 209.25 | Num_heavy_atoms: | 15 |
| TPSA: | 71.84 | NumAromaticRings: | 1 |
