Glycoside
GD124778
Name:
{[5,8-dihydroxy-2-(2-hydroxypropan-2-yl)-4a,8-dimethyl-decahydronaphthalen-1-yl]peroxy}(3,4,5,6-tetrahydroxyoxan-2-yl)methanesulfonic acidFormula:
C21H38O13SSmiles:
CC(C)(O)C1CCC2(C)C(O)CCC(C)(O)C2C1OOC(C1OC(O)C(O)C(O)C1O)S(=O)(=O)OAglycone:
CC(C)(O)C1CCC2(C)C(O)CCC(C)(O)C2C1OOCS(=O)(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 530.59 | Num_heavy_atoms: | 35 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD50428
Formula: C16H30O8S
Smiles:
CC(C)(O)C1CCC2(C)C(O)CCC(C)(O)C2C1OOCS(=O)(=O)O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 382.48 | Num_heavy_atoms: | 25 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
