Glycoside
GD082404
Name:
NoneFormula:
C18H32O7N3Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCC[NH2+]2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1CCCN1C(=O)C1CCC[NH2+]1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -3.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.47 | Num_heavy_atoms: | 28 |
| TPSA: | 145.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD37033
Formula: C12H22O3N3
Smiles:
O=C(NCCO)C1CCCN1C(=O)C1CCC[NH2+]1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -2.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.33 | Num_heavy_atoms: | 18 |
| TPSA: | 86.25 | NumAromaticRings: | 0 |
