Glycoside
...
GD141013

Name:
2-(acetyloxy)-8a-({[3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}carbonyl)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid

Formula:
C55H86O25

Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)CCC23C)C(C)(C(=O)O)C1O

Aglycone:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C(=O)O)C1O

Sugarmoiety:
CC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 13 FractionCSP3: 0.91
AlogP: -1.76 Num_rotatable_bonds: 12
MolWt: 1147.27 Num_heavy_atoms: 80
TPSA: 397.27 NumAromaticRings: 0

Unique Aglycone
AD56841
Formula: C32H48O7

Smiles:
CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(=O)O)CCC23C)C(C)(C(=O)O)C1O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.84
AlogP: 5.84 Num_rotatable_bonds: 3
MolWt: 544.73 Num_heavy_atoms: 39
TPSA: 121.13 NumAromaticRings: 0

Sugarmoiety
SD08651

CC1OC(OC2C(O)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O