Glycoside
...
GD141851

Name:
2-[(6-{2'-ethyl-5'-[9-hydroxy-7-(3-methoxy-4-methylpentan-2-yl)-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-2-yl]-3-methyl-[2,2'-bioxolan]-5-yl}-2-hydroxy-3,5-dimethyloxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C42H74O14

Smiles:
CCC1(C2OC(C3OC(O)(COC4OC(CO)C(O)C(O)C4O)C(C)CC3C)CC2C)CCC(C2(C)CCC3(CC(O)C(C)C(C(C)C(OC)C(C)C)O3)O2)O1

Aglycone:
CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CCC3(CC(O)C(C)C(C(C)C(OC)C(C)C)O3)O2)O1

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

Other Identifiers

Properties
HBA: 14 RingCount: 6
HBD: 6 FractionCSP3: 1.0
AlogP: 3.03 Num_rotatable_bonds: 12
MolWt: 803.04 Num_heavy_atoms: 56
TPSA: 195.22 NumAromaticRings: 0

Unique Aglycone
AD57114
Formula: C36H64O9

Smiles:
CCC1(C2OC(C3OC(O)(CO)C(C)CC3C)CC2C)CCC(C2(C)CCC3(CC(O)C(C)C(C(C)C(OC)C(C)C)O3)O2)O1
HBA: 9 RingCount: 5
HBD: 3 FractionCSP3: 1.0
AlogP: 5.21 Num_rotatable_bonds: 9
MolWt: 640.9 Num_heavy_atoms: 45
TPSA: 116.07 NumAromaticRings: 0

Sugarmoiety
SD00003

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