Glycoside
...
GD152775

Name:
6,9-bis(acetyloxy)-3,14-dihydroxy-7,7,12,16-tetramethyl-15-(6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[9.7.0.0³,⁸.0¹²,¹⁶]octadec-1(18)-en-17-yl acetate

Formula:
C42H66O14

Smiles:
CC(=O)OC1CC2C(=CC(OC(C)=O)C3(C)C(C(C)CCC=C(C)COC4OC(CO)C(O)C(O)C4O)C(O)CC23C)CC2(O)CCC(OC(C)=O)C(C)(C)C12

Aglycone:
CC(=O)OC1CC2C(=CC(OC(C)=O)C3(C)C(C(C)CCC=C(C)CO)C(O)CC23C)CC2(O)CCC(OC(C)=O)C(C)(C)C12

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 6 FractionCSP3: 0.83
AlogP: 2.87 Num_rotatable_bonds: 11
MolWt: 794.98 Num_heavy_atoms: 56
TPSA: 218.74 NumAromaticRings: 0

Unique Aglycone
AD60806
Formula: C36H56O9

Smiles:
CC(=O)OC1CC2C(=CC(OC(C)=O)C3(C)C(C(C)CCC=C(C)CO)C(O)CC23C)CC2(O)CCC(OC(C)=O)C(C)(C)C12
HBA: 9 RingCount: 4
HBD: 3 FractionCSP3: 0.81
AlogP: 5.05 Num_rotatable_bonds: 8
MolWt: 632.84 Num_heavy_atoms: 45
TPSA: 139.59 NumAromaticRings: 0

Sugarmoiety
SD00003

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