Glycoside
GD148783
Name:
methyl 3,5-dihydroxy-6-[(7-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-8-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-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylateFormula:
C43H68O14Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C)C(=O)C(O)C34C)C2(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
CC1(C)CCC2(C)C(=O)C(O)C3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
COC(=O)C1OC(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 809.0 | Num_heavy_atoms: | 57 |
| TPSA: | 221.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD48830
Formula: C30H48O3
Smiles:
CC1(C)CCC2(C)C(=O)C(O)C3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
