Glycoside
...
GD029853

Name:
10-(acetyloxy)-9-({[4,5-bis(acetyloxy)-3-hydroxy-6-methyloxan-2-yl]oxy}methyl)-12-hydroxy-2,4a,6a,6b,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

Formula:
C41H62O12

Smiles:
CC(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@@H](CC[C@]3(C)[C@H]2CC=C2[C@@H]4C[C@@](C)(C(=O)O)CC[C@@]4(C)CC[C@]23C)[C@@H]1CO[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O

Aglycone:
CC(=O)OC1CC(O)C2(C)C(CCC3(C)C2CC=C2C4CC(C)(C(=O)O)CCC4(C)CCC23C)C1CO

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 3 FractionCSP3: 0.85
AlogP: 5.35 Num_rotatable_bonds: 7
MolWt: 746.94 Num_heavy_atoms: 53
TPSA: 175.12 NumAromaticRings: 0

Unique Aglycone
AD12019
Formula: C31H48O6

Smiles:
CC(=O)OC1CC(O)C2(C)C(CCC3(C)C2CC=C2C4CC(C)(C(=O)O)CCC4(C)CCC23C)C1CO
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 5.36 Num_rotatable_bonds: 3
MolWt: 516.72 Num_heavy_atoms: 37
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00536

CC(=O)OC1C(C)OC(O)C(O)C1OC(C)=O