Glycoside
...
GD120036

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

Formula:
C48H70O16

Smiles:
CC(=O)OCC1OC(OCC2(C)CCC3(C(=O)O)CCC4(C)C(=CCC5C6(C)CCC(OC(C)=O)C(C)(COC(C)=O)C6CCC54C)C3C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CO)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: 16 RingCount: 6
HBD: 1 FractionCSP3: 0.81
AlogP: 6.43 Num_rotatable_bonds: 12
MolWt: 903.07 Num_heavy_atoms: 64
TPSA: 213.56 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
AD48175
Formula: C34H52O7

Smiles:
CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CO)CCC3(C(=O)O)CCC21C
HBA: 7 RingCount: 5
HBD: 2 FractionCSP3: 0.85
AlogP: 6.32 Num_rotatable_bonds: 5
MolWt: 572.78 Num_heavy_atoms: 41
TPSA: 110.13 NumAromaticRings: 0

Sugarmoiety
SD00012

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