Glycoside
GD132381
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 11-(acetyloxy)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,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:
C38H60O12Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)OC5OC(CO)C(O)C(O)C5O)(CCC(C)C4(C)O)CCC23C)C(C)(CO)C1OAglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)O)(CCC(C)C4(C)O)CCC23C)C(C)(CO)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 708.89 | Num_heavy_atoms: | 50 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD53596
Formula: C32H50O7
Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4C(C(=O)O)(CCC(C)C4(C)O)CCC23C)C(C)(CO)C1O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 4.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 546.75 | Num_heavy_atoms: | 39 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
