Glycoside
GD017580
Name:
NoneFormula:
C39H56O13N8Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](CNC(=O)c3cc(-c4ccccc4)nc4ccccc34)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:
CNC(=O)c1cc(-c2ccccc2)nc2ccccc12.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: | 21 | RingCount: | 7 |
| HBD: | 19 | FractionCSP3: | 0.59 |
| AlogP: | -5.24 | Num_rotatable_bonds: | 12 |
| MolWt: | 844.92 | Num_heavy_atoms: | 60 |
| TPSA: | 374.87 | NumAromaticRings: | 3 |
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 |
AD12532
Formula: C17H14ON2
Smiles:
CNC(=O)c1cc(-c2ccccc2)nc2ccccc12| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.31 | Num_heavy_atoms: | 20 |
| TPSA: | 41.99 | NumAromaticRings: | 3 |
