Glycoside

GD119381
Name:
1,2,7,13,17,17-hexamethyl-6-(3-methyl-2-methylidenebutyl)-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosane-3,4,7-triolFormula:
C37H62O10Smiles:
C=C(CC1OC2(O)C(C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O)C(C)CAglycone:
C=C(CC1OC2(O)C(C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O)C(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 10 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.95 |
AlogP: | 2.88 | Num_rotatable_bonds: | 6 |
MolWt: | 666.89 | Num_heavy_atoms: | 47 |
TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD47817
Formula: C31H52O5
Smiles:
C=C(CC1OC2(O)C(C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C2O)C1(C)O)C(C)CHBA: | 5 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.94 |
AlogP: | 5.05 | Num_rotatable_bonds: | 3 |
MolWt: | 504.75 | Num_heavy_atoms: | 36 |
TPSA: | 90.15 | NumAromaticRings: | 0 |