Glycoside
GD150198
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[3-(acetyloxy)-4,5-dihydroxyoxan-2-yl]oxy}-1-hydroxy-1,6a,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateFormula:
C42H66O14Smiles:
CC(=O)OC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(C)(O)CCCC5(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC34C)C2(C)C)OCC(O)C1OAglycone:
CC1(O)CCCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 794.98 | Num_heavy_atoms: | 56 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD55145
Formula: C29H46O4
Smiles:
CC1(O)CCCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.68 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
