Glycoside
GD053632
Name:
NoneFormula:
C14H22O6N3Smiles:
Cc1[nH]c2c([nH+]1)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)CC2Aglycone:
Cc1[nH]c2c([nH+]1)CCNCC2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -3.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 328.35 | Num_heavy_atoms: | 23 |
| TPSA: | 148.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD27362
Formula: C8H14N3
Smiles:
Cc1[nH]c2c([nH+]1)CCNCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 152.22 | Num_heavy_atoms: | 11 |
| TPSA: | 41.96 | NumAromaticRings: | 1 |
