Glycoside

GD157654
Name:
2,2,4a,6a,6b,9,9,12a-octamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-13-oneFormula:
C36H58O7Smiles:
CC1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 6 |
HBD: | 4 | FractionCSP3: | 0.92 |
AlogP: | 5.17 | Num_rotatable_bonds: | 3 |
MolWt: | 602.85 | Num_heavy_atoms: | 43 |
TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD62312
Formula: C30H48O2
Smiles:
CC1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 2 | RingCount: | 5 |
HBD: | 1 | FractionCSP3: | 0.9 |
AlogP: | 7.35 | Num_rotatable_bonds: | 0 |
MolWt: | 440.71 | Num_heavy_atoms: | 32 |
TPSA: | 37.3 | NumAromaticRings: | 0 |