Glycoside
GD115332
Name:
9-(1,2-dihydroxyethyl)-11-hydroxy-2-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C36H58O11Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(C(O)CO)C5CCC43C)C2C1Aglycone:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 6 |
| MolWt: | 666.85 | Num_heavy_atoms: | 47 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD45599
Formula: C31H50O7
Smiles:
CC1(CO)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(O)CO)C5CCC43C)C2C1| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.73 | Num_heavy_atoms: | 38 |
| TPSA: | 138.45 | NumAromaticRings: | 0 |
