Glycoside

GD142700
Name:
6-(hydroxymethyl)-4-{7',9',13'-trimethyl-5-methylidene-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,â¹.0â´,â¸.0¹³,¹â¸]icosan]-18'-en-14'-oloxy}oxane-2,3,5-triolFormula:
C33H50O9Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(OC6C(O)C(O)OC(CO)C6O)CC(O)C5(C)C4CCC3(C)C1C2CAglycone:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 9 | RingCount: | 7 |
HBD: | 5 | FractionCSP3: | 0.88 |
AlogP: | 2.43 | Num_rotatable_bonds: | 3 |
MolWt: | 590.75 | Num_heavy_atoms: | 42 |
TPSA: | 138.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD05472
Formula: C27H40O4
Smiles:
C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2CHBA: | 4 | RingCount: | 6 |
HBD: | 2 | FractionCSP3: | 0.85 |
AlogP: | 4.6 | Num_rotatable_bonds: | 0 |
MolWt: | 428.61 | Num_heavy_atoms: | 31 |
TPSA: | 58.92 | NumAromaticRings: | 0 |