Glycoside
GD152157
Name:
3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 10-hydroxy-2,2,9,9,12a,14b-hexamethyl-1,2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-icosahydropicene-4a-carboxylateFormula:
C41H66O13Smiles:
CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3=C(CCC4C3CCC3C(C)(C)C(O)CCC43C)C2(C)C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3CCC3C(C)(C)C(O)CCC43C)C2(C)C1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 6 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD46524
Formula: C29H46O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3CCC3C(C)(C)C(O)CCC43C)C2(C)C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
