Glycoside
GD096409
Name:
NoneFormula:
C24H39O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@]23CCC[NH2+]C[C@@H]2C[N@H+](Cc2ccccc2)C3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C12CCC[NH2+]CC1C[NH+](Cc1ccccc1)C2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 465.59 | Num_heavy_atoms: | 33 |
| TPSA: | 129.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD41003
Formula: C18H29O2N3
Smiles:
O=C(NCCO)C12CCC[NH2+]CC1C[NH+](Cc1ccccc1)C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 319.45 | Num_heavy_atoms: | 23 |
| TPSA: | 70.38 | NumAromaticRings: | 1 |
