Glycoside
...
GD138782

Name:
3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}oxy)-2,2,6a,6b,9,9,12a-heptamethyl-3-[(3-phenylprop-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:
C79H120O37

Smiles:
CC1OC(OC2C(OC(=O)C34CCC5(C)C(=CCC6C7(C)CCC(OC8OC(COC9OCC(O)C(O)C9OC9OCC(O)C(O)C9O)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC65C)C3CC(C)(C)C(OC(=O)C=Cc3ccccc3)C4)OC(CO)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Aglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1

Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 37 RingCount: 13
HBD: 20 FractionCSP3: 0.85
AlogP: -5.02 Num_rotatable_bonds: 21
MolWt: 1661.79 Num_heavy_atoms: 116
TPSA: 577.19 NumAromaticRings: 1

Unique Aglycone
AD02167
Formula: C39H54O5

Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1OC(=O)C=Cc1ccccc1
HBA: 5 RingCount: 6
HBD: 2 FractionCSP3: 0.69
AlogP: 8.47 Num_rotatable_bonds: 4
MolWt: 602.86 Num_heavy_atoms: 44
TPSA: 83.83 NumAromaticRings: 1

Sugarmoiety
SD07954

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O