Glycoside

GD135571
Name:
2-({[4-(acetyloxy)-3-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}methyl)-9-formyl-5-methyl-13-(propan-2-yl)tetracyclo[7.4.0.0²,¹¹.0â´,â¸]tridec-12-ene-1-carboxylic acidFormula:
C29H42O9Smiles:
COC1C(C)OC(OCC23CC4C(C)CCC4C4(C=O)CC2C=C(C(C)C)C43C(=O)O)C(O)C1OC(C)=OAglycone:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)OSugarmoiety:
COC1C(C)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
HBA: | 9 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.83 |
AlogP: | 2.98 | Num_rotatable_bonds: | 8 |
MolWt: | 534.65 | Num_heavy_atoms: | 38 |
TPSA: | 128.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD00440
Formula: C20H28O4
Smiles:
CC(C)C1=CC2CC3(C=O)C4CCC(C)C4CC2(CO)C13C(=O)OHBA: | 4 | RingCount: | 4 |
HBD: | 2 | FractionCSP3: | 0.8 |
AlogP: | 2.9 | Num_rotatable_bonds: | 4 |
MolWt: | 332.44 | Num_heavy_atoms: | 24 |
TPSA: | 74.6 | NumAromaticRings: | 0 |