Glycoside
GD143365
Name:
{[8a-(hydroxymethyl)-4,6a,6b,12,14b-pentamethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,12,12a,12b,13,14,14a,14b-icosahydropicen-4-yl]methoxy}sulfonic acidFormula:
C41H68O16SSmiles:
CC1C(COC2OC(CO)C(O)C(O)C2O)=CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(COS(=O)(=O)O)C5CCC43C)C12Aglycone:
CC1C(CO)=CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(COS(=O)(=O)O)C5CCC43C)C12Sugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 849.05 | Num_heavy_atoms: | 58 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD57668
Formula: C30H50O7S
Smiles:
CC1C(CO)=CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(COS(=O)(=O)O)C5CCC43C)C12| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 554.79 | Num_heavy_atoms: | 38 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
