Glycoside
GD118192
Name:
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]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C35H52O12Smiles:
CC1(C)CCC2C(O)C(=O)C3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2C(O)C(=O)C3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 4 |
| MolWt: | 664.79 | Num_heavy_atoms: | 47 |
| TPSA: | 211.28 | 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 |
