Glycoside
GD138649
Name:
3,4,5-trihydroxy-6-{[8,9,10-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-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}oxane-2-carboxylic acidFormula:
C41H64O13Smiles:
CC=C(C)C(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(O)C2OAglycone:
CC=C(C)C(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(O)C2OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 7 |
| MolWt: | 764.95 | Num_heavy_atoms: | 54 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD16684
Formula: C35H56O7
Smiles:
CC=C(C)C(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(O)C2O| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 4.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 588.83 | Num_heavy_atoms: | 42 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
