Glycoside
GD153082
Name:
3-(acetyloxy)-6-[(4-carboxy-2,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-7-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-4,5-dihydroxyoxane-2-carboxylic acidFormula:
C37H54O13Smiles:
CC(=O)OC1C(C(=O)O)OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5C(O)C(=O)C34C)C2(C)C(=O)O)C(O)C1OAglycone:
CC1(C)CCC2C(O)C(=O)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(C(=O)O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.84 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 706.83 | Num_heavy_atoms: | 50 |
| TPSA: | 217.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD47234
Formula: C29H44O6
Smiles:
CC1(C)CCC2C(O)C(=O)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 1 |
| MolWt: | 488.67 | Num_heavy_atoms: | 35 |
| TPSA: | 115.06 | NumAromaticRings: | 0 |
