Glycoside
...
GD150011

Name:
8a-[({2-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}methoxy)-3-hydroxy-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:
C77H116O35

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(O)C(OC5OCC(O)C(O)C5O)C4O)C(OC4OCC(O)(CO)C4O)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(OC2OCC(O)(CO)C2O)C1OCC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 35 RingCount: 12
HBD: 17 FractionCSP3: 0.83
AlogP: -2.41 Num_rotatable_bonds: 23
MolWt: 1601.74 Num_heavy_atoms: 112
TPSA: 533.57 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
SD09736

CC1OC(O)C(O)C(OC2OCC(O)(CO)C2O)C1OCC1OCC(O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O