Glycoside
GD013674
Name:
NoneFormula:
C30H56O12N10Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](Cn3cc(C4CCCCN4)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(C2CCCCN2)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: | 22 | RingCount: | 6 |
| HBD: | 19 | FractionCSP3: | 0.93 |
| AlogP: | -7.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 748.84 | Num_heavy_atoms: | 52 |
| TPSA: | 375.62 | 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 |
AD10162
Formula: C8H14N4
Smiles:
Cn1cc(C2CCCCN2)nn1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.23 | Num_heavy_atoms: | 12 |
| TPSA: | 42.74 | NumAromaticRings: | 1 |
