Glycoside

GD132174
Name:
6-methoxy-7,9,13-trimethyl-6-[3-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-3-en-1-yl]-5-oxapentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icos-18-ene-11,14,16-triolFormula:
C34H54O11Smiles:
C=C(CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1OAglycone:
C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 7 | FractionCSP3: | 0.88 |
AlogP: | 1.01 | Num_rotatable_bonds: | 8 |
MolWt: | 638.8 | Num_heavy_atoms: | 45 |
TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD48789
Formula: C28H44O6
Smiles:
C=C(CO)CCC1(OC)OC2CC3C4CC=C5CC(O)CC(O)C5(C)C4C(O)CC3(C)C2C1CHBA: | 6 | RingCount: | 5 |
HBD: | 4 | FractionCSP3: | 0.86 |
AlogP: | 3.18 | Num_rotatable_bonds: | 5 |
MolWt: | 476.65 | Num_heavy_atoms: | 34 |
TPSA: | 99.38 | NumAromaticRings: | 0 |