Glycoside
...
GD137315

Name:
8a-[({2-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-5-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-3-hydroxy-6-methyloxan-2-yl)oxy]-4-{[3-(4-methoxyphenyl)prop-2-enoyl]oxy}-5-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)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:
C82H124O38

Smiles:
COc1ccc(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(OC4OCC(O)(CO)C4O)C3O)C2OC2OC(C)C(O)C(O)C2O)cc1

Aglycone:
COc1ccc(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)cc1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(OC2OCC(O)(CO)C2O)C1OCC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 38 RingCount: 13
HBD: 20 FractionCSP3: 0.84
AlogP: -4.21 Num_rotatable_bonds: 24
MolWt: 1717.86 Num_heavy_atoms: 120
TPSA: 594.26 NumAromaticRings: 1

Unique Aglycone
AD55481
Formula: C47H66O12

Smiles:
COc1ccc(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)cc1
HBA: 12 RingCount: 7
HBD: 6 FractionCSP3: 0.72
AlogP: 5.46 Num_rotatable_bonds: 8
MolWt: 823.03 Num_heavy_atoms: 59
TPSA: 200.28 NumAromaticRings: 1

Sugarmoiety
SD08166

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(OC2OCC(O)(CO)C2O)C1OCC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O