Glycoside
...
GD149822

Name:
3-{[3-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl 3-({2,6-dimethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]octa-2,7-dienoyl}oxy)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(3,4,5-trihydroxy-6-methyloxan-2-yl)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:
C79H126O39

Smiles:
C=CC(C)(CCC=C(C)C(=O)OC1CC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C)OC1OCC(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)CC(O)C(O)C(C)(CO)C5CCC43C)C2CC1(C)C

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 39 RingCount: 12
HBD: 22 FractionCSP3: 0.9
AlogP: -6.49 Num_rotatable_bonds: 23
MolWt: 1699.84 Num_heavy_atoms: 118
TPSA: 617.65 NumAromaticRings: 0

Unique Aglycone
AD15087
Formula: C40H62O9

Smiles:
C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2CC1(C)C
HBA: 9 RingCount: 5
HBD: 6 FractionCSP3: 0.8
AlogP: 5.33 Num_rotatable_bonds: 8
MolWt: 686.93 Num_heavy_atoms: 49
TPSA: 164.75 NumAromaticRings: 0

Sugarmoiety
SD09713

CC1OC(O)C(O)C(O)C1O.CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O