Glycoside
GD155308
Name:
10-({4-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-2-yl}oxy)-2,2,6a,6b,9,9,12a,14a-octamethyl-docosahydropicene-4a-carboxylic acidFormula:
C48H80O15Smiles:
CC1OC(OC2CCC3(C)C(CCC4(C)C3CCC3(C)C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C(O)C(OC2OCC(OC3OC(CO)CC(O)C3O)C(O)C2O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C)(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(O)C(O)C(OC2OCC(OC3OC(CO)CC(O)C3O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 897.15 | Num_heavy_atoms: | 63 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD61612
Formula: C31H52O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C)(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 7.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 472.75 | Num_heavy_atoms: | 34 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
