Glycoside
GD015017
Name:
NoneFormula:
C35H56O16SSmiles:
C=C1C[C@@]23CC[C@H]4[C@@](C)(C(=O)OCCCS(=O)(=O)O)CCC[C@]4(C)[C@H]2CC[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)OCCCS(=O)(=O)O)CCCC4(C)C2CCC1(O)C3Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 11 |
| MolWt: | 764.88 | Num_heavy_atoms: | 52 |
| TPSA: | 259.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD00047
Formula: C23H36O6S
Smiles:
C=C1CC23CCC4C(C)(C(=O)OCCCS(=O)(=O)O)CCCC4(C)C2CCC1(O)C3| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 440.6 | Num_heavy_atoms: | 30 |
| TPSA: | 100.9 | NumAromaticRings: | 0 |
