Glycoside
GD114491
Name:
4a-methyl 2-(3,4,5-trihydroxyoxan-2-yl) 2,6a,6b,9,9,12a-hexamethyl-10-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylateFormula:
C42H66O13Smiles:
COC(=O)C12CCC(C)(C(=O)OC3OCC(O)C(O)C3O)CC1C1=CCC3C4(C)CCC(OC5OC(C)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)CC2Aglycone:
COC(=O)C12CCC(C)(C(=O)O)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 778.98 | Num_heavy_atoms: | 55 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD45089
Formula: C31H48O5
Smiles:
COC(=O)C12CCC(C)(C(=O)O)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 6.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 500.72 | Num_heavy_atoms: | 36 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
