Glycoside
GD145252
Name:
4,8a-dimethyl 12-hydroxy-4,6a,6b,11,12,14b-hexamethyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylateFormula:
C37H58O10Smiles:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C(=O)OC)C4CCC3(C)C1(C)CC2Aglycone:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CCC(O)C(C)(C(=O)OC)C4CCC3(C)C1(C)CC2Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 3.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD58319
Formula: C32H50O6
Smiles:
COC(=O)C12CCC(C)C(C)(O)C1C1=CCC3C4(C)CCC(O)C(C)(C(=O)OC)C4CCC3(C)C1(C)CC2| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 5.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 530.75 | Num_heavy_atoms: | 38 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
