Glycoside
...
GD154950

Name:
10-({4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-5-hydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-9-formyl-5-hydroxy-4a-(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-icosahydropicen-4-yl 2-methylbut-2-enoate

Formula:
C58H92O25

Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO

Aglycone:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO

Sugarmoiety:
OCC1OC(OC2C(OC3C(O)C(CO)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 9
HBD: 14 FractionCSP3: 0.9
AlogP: -2.29 Num_rotatable_bonds: 15
MolWt: 1189.35 Num_heavy_atoms: 83
TPSA: 400.43 NumAromaticRings: 0

Unique Aglycone
AD11406
Formula: C35H54O6

Smiles:
CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.83
AlogP: 5.78 Num_rotatable_bonds: 4
MolWt: 570.81 Num_heavy_atoms: 41
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD09138

OCC1OC(OC2C(OC3C(O)C(CO)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OCC(O)C2O)C(O)C(O)C1O