Glycoside

GD138424
Name:
2-[(1,9-dihydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H58O8Smiles:
CC1(C)CC2=C3C=CC4C5(C)C(O)CC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1Aglycone:
CC1(C)CC2=C3C=CC4C5(C)C(O)CC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 6 |
HBD: | 6 | FractionCSP3: | 0.89 |
AlogP: | 3.85 | Num_rotatable_bonds: | 3 |
MolWt: | 618.85 | Num_heavy_atoms: | 44 |
TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD47082
Formula: C30H48O3
Smiles:
CC1(C)CC2=C3C=CC4C5(C)C(O)CC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1HBA: | 3 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.87 |
AlogP: | 6.03 | Num_rotatable_bonds: | 0 |
MolWt: | 456.71 | Num_heavy_atoms: | 33 |
TPSA: | 60.69 | NumAromaticRings: | 0 |