Glycoside
...
GD137186

Name:
8a-({[2-({5-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-3,4-dihydroxy-6-methyloxan-2-yl}oxy)-3-hydroxy-5-methyl-4-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}cyclohexyl]oxy}carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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:
C73H110O32

Smiles:
COc1cc(C=CC(=O)OC2C(C)CC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C(OC3OC(C)C(OCC4OCC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C2O)cc(OC)c1OC

Aglycone:
COc1cc(C=CC(=O)OC2C(C)CC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C(O)C2O)cc(OC)c1OC

Sugarmoiety:
CC1OC(O)C(O)C(O)C1OCC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 11
HBD: 16 FractionCSP3: 0.82
AlogP: -1.51 Num_rotatable_bonds: 21
MolWt: 1499.65 Num_heavy_atoms: 105
TPSA: 494.88 NumAromaticRings: 1

Unique Aglycone
AD55436
Formula: C49H70O14

Smiles:
COc1cc(C=CC(=O)OC2C(C)CC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C(O)C2O)cc(OC)c1OC
HBA: 14 RingCount: 7
HBD: 6 FractionCSP3: 0.73
AlogP: 5.48 Num_rotatable_bonds: 10
MolWt: 883.09 Num_heavy_atoms: 63
TPSA: 218.74 NumAromaticRings: 1

Sugarmoiety
SD08145

CC1OC(O)C(O)C(O)C1OCC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O