Glycoside
GD132726
Name:
[(6-{3,3b,5-trihydroxy-9a,11a-dimethyl-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2-methylheptan-3-yl)oxy]sulfonic acidFormula:
C32H56O12SSmiles:
CC(C)C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OC4OCC(O)C(O)C4O)CC3C(O)CC12O)OS(=O)(=O)OAglycone:
CC(C)C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)OS(=O)(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.86 | Num_heavy_atoms: | 45 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD53736
Formula: C27H48O8S
Smiles:
CC(C)C(CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)OS(=O)(=O)O| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.74 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
