Glycoside
GD131720
Name:
6-({[8,9-dihydroxy-4-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-10-[(2-methylbut-2-enoyl)oxy]-8a-{[(2-methylbut-2-enoyl)oxy]methyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}methyl)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C46H70O14Smiles:
CC=C(C)C(=O)OCC12C(O)CC3C(=CCC4C3(C)CCC3C(C)(CO)C(OCC5OC(C(=O)O)C(O)C(O)C5O)CCC34C)C1CC(C)(C)C(OC(=O)C(C)=CC)C2OAglycone:
CC=C(C)C(=O)OCC12C(O)CC3C(=CCC4C3(C)CCC3C(C)(CO)C(OC)CCC34C)C1CC(C)(C)C(OC(=O)C(C)=CC)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 847.05 | Num_heavy_atoms: | 60 |
| TPSA: | 229.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD53349
Formula: C40H62O8
Smiles:
CC=C(C)C(=O)OCC12C(O)CC3C(=CCC4C3(C)CCC3C(C)(CO)C(OC)CCC34C)C1CC(C)(C)C(OC(=O)C(C)=CC)C2O| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 670.93 | Num_heavy_atoms: | 48 |
| TPSA: | 122.52 | NumAromaticRings: | 0 |
