Glycoside
...
GD146055

Name:
6-({[4-(acetyloxy)-3,5-dihydroxyoxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 10-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-9-(hydroxymethyl)-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:
C54H86O22

Smiles:
CC(=O)OC1C(O)COC(OCC2OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OCC(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)C(O)C(O)C2O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)OC1C(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 11 FractionCSP3: 0.93
AlogP: -0.19 Num_rotatable_bonds: 11
MolWt: 1087.26 Num_heavy_atoms: 76
TPSA: 339.74 NumAromaticRings: 0

Unique Aglycone
AD00356
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.21 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD09291

CC(=O)OC1C(O)COC(OCC2OC(O)C(O)C(O)C2O)C1O.CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1O