Glycoside
GD131317
Name:
8-[(4,5-dihydroxy-3-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-2-yl)oxy]-12-hydroxy-4a,4b,7,7,10a-pentamethyl-2-(3-methyl-4-oxopentyl)-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-hexadecahydrochrysene-2-carboxylic acidFormula:
C41H66O14Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C(O)CC3C4(C)CCC(OC5OCC(O)C(O)C5OC5C(O)C(O)OC(CO)C5O)C(C)(C)C4CCC3(C)C2(C)CC1Aglycone:
CC(=O)C(C)CCC1(C(=O)O)C=C2C(O)CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1Sugarmoiety:
OCC1OC(O)C(O)C(OC2C(O)OCC(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 10 |
| MolWt: | 782.96 | Num_heavy_atoms: | 55 |
| TPSA: | 232.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD45202
Formula: C30H48O5
Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C(O)CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 5.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.71 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
