Glycoside

GD145142
Name:
2-[(9-hydroxy-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:
C36H58O7Smiles:
CC1(C)CC2=C3C=CC4C5(C)CCC(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)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.89 |
AlogP: | 4.88 | Num_rotatable_bonds: | 3 |
MolWt: | 602.85 | Num_heavy_atoms: | 43 |
TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD54144
Formula: C30H48O2
Smiles:
CC1(C)CC2=C3C=CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)C(O)C1HBA: | 2 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.87 |
AlogP: | 7.06 | Num_rotatable_bonds: | 0 |
MolWt: | 440.71 | Num_heavy_atoms: | 32 |
TPSA: | 40.46 | NumAromaticRings: | 0 |