Glycoside
...
GD126380

Name:
6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 9-[(acetyloxy)methyl]-10,11-dihydroxy-1,2,6a,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:
C50H80O20

Smiles:
CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC21C

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

Sugarmoiety:
CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: -0.46 Num_rotatable_bonds: 10
MolWt: 1001.17 Num_heavy_atoms: 70
TPSA: 321.28 NumAromaticRings: 0

Unique Aglycone
AD51131
Formula: C32H50O6

Smiles:
CC(=O)OCC1(C)C(O)C(O)CC2(C)C1CCC1(C)C2CC=C2C3C(C)C(C)CCC3(C(=O)O)CCC21C
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.88
AlogP: 5.6 Num_rotatable_bonds: 3
MolWt: 530.75 Num_heavy_atoms: 38
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD00047

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O