Glycoside
GD155769
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 8,9-dihydroxy-7-(hydroxymethyl)-4a,4b,7,10a-tetramethyl-2-(3-methyl-4-oxopentyl)-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b-tetradecahydrochrysene-2-carboxylateFormula:
C36H56O11Smiles:
CC(=O)C(C)CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)C=C2C=CC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C2(C)CC1Aglycone:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C2(C)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 8 |
| MolWt: | 664.83 | Num_heavy_atoms: | 47 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD61750
Formula: C30H46O6
Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C2(C)CC1| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 4.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.69 | Num_heavy_atoms: | 36 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
