Glycoside
GD115899
Name:
4a,4b,7,7,10a-pentamethyl-2-(3-methyl-4-oxopentyl)-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b-tetradecahydrochrysene-2-carboxylic acidFormula:
C35H54O8Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(OC5OCC(O)C(O)C5O)C(C)(C)C4CCC3(C)C2(C)CC1Aglycone:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 5.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 602.81 | Num_heavy_atoms: | 43 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD45930
Formula: C30H46O4
Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 6.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 470.69 | Num_heavy_atoms: | 34 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
