Glycoside
GD082397
Name:
NoneFormula:
C17H31O8N2SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H]2C[NH2+]CC23CCS(=O)(=O)CC3)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1C[NH2+]CC12CCS(=O)(=O)CC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | -3.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.51 | Num_heavy_atoms: | 28 |
| TPSA: | 159.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD37029
Formula: C11H21O4N2S
Smiles:
O=C(NCCO)C1C[NH2+]CC12CCS(=O)(=O)CC2| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 277.37 | Num_heavy_atoms: | 18 |
| TPSA: | 100.08 | NumAromaticRings: | 0 |
