Glycoside
...
GD123522

Name:
3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 10,11-bis(acetyloxy)-9-[(acetyloxy)methyl]-1-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C50H72O18

Smiles:
CC(=O)OCC1OC(OC(=O)C23CCC(C)(C)C(O)C2C2=CCC4C5(C)CC(OC(C)=O)C(OC(C)=O)C(C)(COC(C)=O)C5CCC4(C)C2(C)CC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OCC1(C)C(OC(C)=O)C(OC(C)=O)CC2(C)C1CCC1(C)C2CC=C2C3C(O)C(C)(C)CCC3(C(=O)O)CCC21C.COC(C)=O

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

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 1 FractionCSP3: 0.8
AlogP: 5.4 Num_rotatable_bonds: 11
MolWt: 961.11 Num_heavy_atoms: 68
TPSA: 239.86 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD49860
Formula: C36H54O9

Smiles:
CC(=O)OCC1(C)C(OC(C)=O)C(OC(C)=O)CC2(C)C1CCC1(C)C2CC=C2C3C(O)C(C)(C)CCC3(C(=O)O)CCC21C
HBA: 9 RingCount: 5
HBD: 2 FractionCSP3: 0.83
AlogP: 5.86 Num_rotatable_bonds: 5
MolWt: 630.82 Num_heavy_atoms: 45
TPSA: 136.43 NumAromaticRings: 0

Sugarmoiety
SD00012

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