Glycoside
GD086673
Name:
NoneFormula:
C22H35O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1C[NH+](Cc2ccccc2)CC12C[NH2+]C2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.68 |
| AlogP: | -3.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 437.54 | Num_heavy_atoms: | 31 |
| TPSA: | 129.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD38346
Formula: C16H25O2N3
Smiles:
O=C(NCCO)C1C[NH+](Cc2ccccc2)CC12C[NH2+]C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 291.4 | Num_heavy_atoms: | 21 |
| TPSA: | 70.38 | NumAromaticRings: | 1 |
