Glycoside

GD132868
Name:
2-[(9-hydroxy-4,4,6a,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C35H58O7Smiles:
CC1(C)CC(O)C2(C)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(OC5OC(CO)C(O)C(O)C5O)CCC34C)C2C1Aglycone:
CC1(C)CC(O)C2(C)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.94 |
AlogP: | 4.57 | Num_rotatable_bonds: | 3 |
MolWt: | 590.84 | Num_heavy_atoms: | 42 |
TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD53792
Formula: C29H48O2
Smiles:
CC1(C)CC(O)C2(C)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1HBA: | 2 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.93 |
AlogP: | 6.75 | Num_rotatable_bonds: | 0 |
MolWt: | 428.7 | Num_heavy_atoms: | 31 |
TPSA: | 40.46 | NumAromaticRings: | 0 |