Glycoside
GD082385
Name:
NoneFormula:
C21H32O6N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@]23C[NH2+]C[C@H]2CN(c2ccccc2)C3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C12C[NH2+]CC1CN(c1ccccc1)C2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.5 | Num_heavy_atoms: | 30 |
| TPSA: | 128.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD37022
Formula: C15H22O2N3
Smiles:
O=C(NCCO)C12C[NH2+]CC1CN(c1ccccc1)C2| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 276.36 | Num_heavy_atoms: | 20 |
| TPSA: | 69.18 | NumAromaticRings: | 1 |
