Glycoside
...
GD157032

Name:
2-(acetyloxy)-3-hydroxy-6-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)cyclohexyl acetate

Formula:
C46H74O15

Smiles:
CC(=O)OC1C(O)CCC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(OC3OC(CO)C(O)C(O)C3O)C4C2(C)C)C1OC(C)=O

Aglycone:
CC(=O)OC1C(O)CCC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(O)C4C2(C)C)C1OC(C)=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 8
HBD: 7 FractionCSP3: 0.96
AlogP: 2.67 Num_rotatable_bonds: 9
MolWt: 867.08 Num_heavy_atoms: 61
TPSA: 231.13 NumAromaticRings: 0

Unique Aglycone
AD62123
Formula: C40H64O10

Smiles:
CC(=O)OC1C(O)CCC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(O)C4C2(C)C)C1OC(C)=O
HBA: 10 RingCount: 7
HBD: 4 FractionCSP3: 0.95
AlogP: 4.85 Num_rotatable_bonds: 6
MolWt: 704.94 Num_heavy_atoms: 50
TPSA: 151.98 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O