Glycoside
GD023951
Name:
NoneFormula:
C37H65O16N7Smiles:
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[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]2OCCNCCc2ccccc2)[C@H]1OAglycone:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1O.OCCNCCc1ccccc1Sugarmoiety:
NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 20 | FractionCSP3: | 0.81 |
| AlogP: | -8.14 | Num_rotatable_bonds: | 20 |
| MolWt: | 863.96 | Num_heavy_atoms: | 60 |
| TPSA: | 397.68 | NumAromaticRings: | 1 |
Unique Aglycone
AD02366
Formula: C10H21O5N3
Smiles:
NCCC(O)C(=O)NC1CC(N)C(O)C(O)C1O| HBA: | 8 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | -4.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 263.29 | Num_heavy_atoms: | 18 |
| TPSA: | 162.06 | NumAromaticRings: | 0 |
AD07499
Formula: C10H15ON
Smiles:
OCCNCCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 165.24 | Num_heavy_atoms: | 12 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
