Glycoside
GD082393
Name:
NoneFormula:
C19H32O7N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](c2ccco2)N2CCC[NH2+]CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C(c1ccco1)N1CCC[NH2+]CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.74 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 414.48 | Num_heavy_atoms: | 29 |
| TPSA: | 141.24 | NumAromaticRings: | 1 |
Unique Aglycone
AD37028
Formula: C13H22O3N3
Smiles:
O=C(NCCO)C(c1ccco1)N1CCC[NH2+]CC1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 268.34 | Num_heavy_atoms: | 19 |
| TPSA: | 82.32 | NumAromaticRings: | 1 |
