Glycoside
GD082180
Name:
NoneFormula:
C18H31O8NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)C2(CC3CC3)CCS(=O)(=O)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)C1(CC2CC2)CCS(=O)(=O)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 421.51 | Num_heavy_atoms: | 28 |
| TPSA: | 142.39 | NumAromaticRings: | 0 |
Unique Aglycone
AD36904
Formula: C12H21O4NS
Smiles:
O=C(NCCO)C1(CC2CC2)CCS(=O)(=O)CC1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 275.37 | Num_heavy_atoms: | 18 |
| TPSA: | 83.47 | NumAromaticRings: | 0 |
