Glycoside
...
GD126363

Name:
6-({8a-formyl-9-[(5-hydroxy-6-methyl-4-oxo-3,4-dihydro-2H-pyran-2-yl)oxy]-4-(hydroxymethyl)-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-icosahydropicen-3-yl}oxy)-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C54H82O22

Smiles:
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CCC23C=O)O1

Aglycone:
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CCC23C=O)O1

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 9
HBD: 11 FractionCSP3: 0.87
AlogP: 1.01 Num_rotatable_bonds: 12
MolWt: 1083.23 Num_heavy_atoms: 76
TPSA: 347.58 NumAromaticRings: 0

Unique Aglycone
AD51123
Formula: C36H54O7

Smiles:
CC1=C(O)C(=O)CC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CCC23C=O)O1
HBA: 7 RingCount: 6
HBD: 3 FractionCSP3: 0.83
AlogP: 6.42 Num_rotatable_bonds: 4
MolWt: 598.82 Num_heavy_atoms: 43
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD01195

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O