Glycoside
GD129600
Name:
12-hydroxy-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,11,12-hexadecahydrochrysene-2-carboxylic acidFormula:
C35H56O9Smiles:
CC(=O)C(C)CCC1(C(=O)O)C=C2C(O)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(O)CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 4.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.82 | Num_heavy_atoms: | 44 |
| TPSA: | 153.75 | 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 |
