Glycoside
GD140079
Name:
6-[(8a-carboxy-4,4,6a,6b,11,11,14a,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C43H68O13Smiles:
CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C6(C)CCC7(C(=O)O)CCC(C)(C)CC7C6=CCC45C)C3(C)C)OC(C(=O)O)C2O)C(O)C(O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4(C)C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(C(=O)O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 4.39 | Num_rotatable_bonds: | 6 |
| MolWt: | 793.0 | Num_heavy_atoms: | 56 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD54823
Formula: C31H50O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4(C)C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 470.74 | Num_heavy_atoms: | 34 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
