Glycoside
GD152855
Name:
12-hydroxy-2-(2-hydroxy-3-methyl-4-oxopentyl)-4a,4b,7,7,10a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydrochrysene-2-carboxylic acidFormula:
C36H58O11Smiles:
CC(=O)C(C)C(O)CC1(C(=O)O)C=C2C(O)CC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(C)CC1Aglycone:
CC(=O)C(C)C(O)CC1(C(=O)O)C=C2C(O)CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 666.85 | Num_heavy_atoms: | 47 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD60825
Formula: C30H48O6
Smiles:
CC(=O)C(C)C(O)CC1(C(=O)O)C=C2C(O)CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 4.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 504.71 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
