Glycoside

GD143217
Name:
2-{[2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0¹,¹â¸.0³,¹â·.0â´,¹â´.0â·,¹².0¹²,¹â´]tetracos-4-en-9-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C36H56O10Smiles:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4=CCC5C(C)(C)C(OC6OC(C)C(O)C(O)C6O)CCC56CC46CC(O)C2(C)C13Aglycone:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4=CCC5C(C)(C)C(O)CCC56CC46CC(O)C2(C)C13Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 8 |
HBD: | 6 | FractionCSP3: | 0.94 |
AlogP: | 2.4 | Num_rotatable_bonds: | 3 |
MolWt: | 648.83 | Num_heavy_atoms: | 46 |
TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD20076
Formula: C30H46O6
Smiles:
CC1CC2OC3(OC2C(C)(C)O)C(O)C2(C)C4=CCC5C(C)(C)C(O)CCC56CC46CC(O)C2(C)C13HBA: | 6 | RingCount: | 7 |
HBD: | 4 | FractionCSP3: | 0.93 |
AlogP: | 3.55 | Num_rotatable_bonds: | 1 |
MolWt: | 502.69 | Num_heavy_atoms: | 36 |
TPSA: | 99.38 | NumAromaticRings: | 0 |