Glycoside
...
GD127366

Name:
9-[(acetyloxy)methyl]-1,2,6a,6b,9,12a-hexamethyl-10-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}-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:
C46H68O14

Smiles:
CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(C)C(C)CCC5(C(=O)O)CCC34C)C2(C)COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3C(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: 14 RingCount: 6
HBD: 1 FractionCSP3: 0.83
AlogP: 6.74 Num_rotatable_bonds: 10
MolWt: 845.04 Num_heavy_atoms: 60
TPSA: 187.26 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
AD51582
Formula: C32H50O5

Smiles:
CC(=O)OCC1(C)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21C
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.88
AlogP: 6.63 Num_rotatable_bonds: 3
MolWt: 514.75 Num_heavy_atoms: 37
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD00012

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