Glycoside
...
GD128723

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

Formula:
C85H136O43

Smiles:
C=CC(C)(CCC=C(C)C(=O)OC1CC2(C(=O)OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C)OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 43 RingCount: 13
HBD: 24 FractionCSP3: 0.91
AlogP: -7.64 Num_rotatable_bonds: 26
MolWt: 1845.98 Num_heavy_atoms: 128
TPSA: 676.57 NumAromaticRings: 0

Unique Aglycone
AD01643
Formula: C40H62O7

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.8
AlogP: 7.39 Num_rotatable_bonds: 7
MolWt: 654.93 Num_heavy_atoms: 47
TPSA: 124.29 NumAromaticRings: 0

Sugarmoiety
SD06977

CC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OCC1OC(OCC2OC(O)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O