Glycoside

GD155196
Name:
2-(hydroxymethyl)-6-{[4-(hydroxymethyl)-4,6a,8a,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-3,4,5-triolFormula:
C35H58O7Smiles:
CC1(C)CCC2(C)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(OC5OC(CO)C(O)C(O)C5O)CCC34C)C2C1Aglycone:
CC1(C)CCC2(C)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.94 |
AlogP: | 4.58 | Num_rotatable_bonds: | 4 |
MolWt: | 590.84 | Num_heavy_atoms: | 42 |
TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD61573
Formula: C29H48O2
Smiles:
CC1(C)CCC2(C)CCC3C(=CCC4C3(C)CCC3C(C)(CO)C(O)CCC34C)C2C1HBA: | 2 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.93 |
AlogP: | 6.75 | Num_rotatable_bonds: | 1 |
MolWt: | 428.7 | Num_heavy_atoms: | 31 |
TPSA: | 40.46 | NumAromaticRings: | 0 |