Glycoside
GD119120
Name:
10-hydroxy-2,2,6b,9,9-pentamethyl-6a-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acidFormula:
C35H54O10Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C(=O)OC4OC(CO)C(O)C(O)C4O)C(=CCC4C5CCC(O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 634.81 | Num_heavy_atoms: | 45 |
| TPSA: | 173.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD45005
Formula: C29H44O5
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 472.67 | Num_heavy_atoms: | 34 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
