Glycoside
...
GD125357

Name:
2,3-bis(acetyloxy)-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:
C48H76O16

Smiles:
CC(=O)OC1CCC(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)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OC1CCC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(O)C4C2(C)C)C(OC(C)=O)C1OC(C)=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 6 FractionCSP3: 0.94
AlogP: 3.24 Num_rotatable_bonds: 10
MolWt: 909.12 Num_heavy_atoms: 64
TPSA: 237.2 NumAromaticRings: 0

Unique Aglycone
AD50697
Formula: C42H66O11

Smiles:
CC(=O)OC1CCC(OC2CCC34CC35CCC3(C)C(C6(C)CCC(C(C)(C)O)O6)C(O)CC3(C)C5CC(O)C4C2(C)C)C(OC(C)=O)C1OC(C)=O
HBA: 11 RingCount: 7
HBD: 3 FractionCSP3: 0.93
AlogP: 5.42 Num_rotatable_bonds: 7
MolWt: 746.98 Num_heavy_atoms: 53
TPSA: 158.05 NumAromaticRings: 0

Sugarmoiety
SD00003

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