Glycoside
GD130273
Name:
2-methyl 4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10,11,13-trihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylateFormula:
C37H58O13Smiles:
COC(=O)C1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CC(O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Aglycone:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CC(O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 5 |
| MolWt: | 710.86 | Num_heavy_atoms: | 50 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD01237
Formula: C31H48O8
Smiles:
COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CC(O)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.72 | Num_heavy_atoms: | 39 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
