Glycoside
GD129231
Name:
3,4,5-trihydroxy-6-({[8,9,10-trihydroxy-4-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-8a-{[(2-methylbutanoyl)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)oxane-2-carboxylic acidFormula:
C41H66O13Smiles:
CCC(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(O)C2OAglycone:
CCC(C)C(=O)OCC12C(O)CC3C(=CCC4C3(C)CCC3C(C)(CO)C(OC)CCC34C)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: | 0.9 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 9 |
| MolWt: | 766.97 | Num_heavy_atoms: | 54 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD52356
Formula: C35H58O7
Smiles:
CCC(C)C(=O)OCC12C(O)CC3C(=CCC4C3(C)CCC3C(C)(CO)C(OC)CCC34C)C1CC(C)(C)C(O)C2O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 6 |
| MolWt: | 590.84 | Num_heavy_atoms: | 42 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
