Glycoside
GD151441
Name:
10-{[4-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,5-dihydroxyoxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-docosahydropicene-4a-carboxylic acidFormula:
C46H76O15Smiles:
CC1OC(OC2C(O)COC(OC3CCC4(C)C(CCC5(C)C4CCC4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC1OC(OC2C(O)COC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 7 |
| MolWt: | 869.1 | Num_heavy_atoms: | 61 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD48782
Formula: C30H50O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.97 |
| AlogP: | 7.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 458.73 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
