Glycoside
...
GD131780

Name:
4,8a-dimethyl 3-{[5-({5-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-2-hydroxy-6b-({[3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)-11,11-dimethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4,8a-dicarboxylate

Formula:
C74H110O35

Smiles:
COC(=O)C1C2CCC3C(CC=C4C5CC(C)(C)CCC5(C(=O)OC)CCC43COC(=O)C=Cc3ccc(OC)cc3)C2CC(O)C1OC1OC(C)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O

Aglycone:
COC(=O)C1C(O)C(O)CC2C1CCC1C2CC=C2C3CC(C)(C)CCC3(C(=O)OC)CCC21COC(=O)C=Cc1ccc(OC)cc1

Sugarmoiety:
CC1OC(OC2C(OC3C(C)OC(O)C(O)C3O)OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

Properties
HBA: 35 RingCount: 12
HBD: 16 FractionCSP3: 0.82
AlogP: -3.81 Num_rotatable_bonds: 21
MolWt: 1559.66 Num_heavy_atoms: 109
TPSA: 522.57 NumAromaticRings: 1

Unique Aglycone
AD53374
Formula: C39H52O9

Smiles:
COC(=O)C1C(O)C(O)CC2C1CCC1C2CC=C2C3CC(C)(C)CCC3(C(=O)OC)CCC21COC(=O)C=Cc1ccc(OC)cc1
HBA: 9 RingCount: 6
HBD: 2 FractionCSP3: 0.67
AlogP: 5.52 Num_rotatable_bonds: 7
MolWt: 664.84 Num_heavy_atoms: 48
TPSA: 128.59 NumAromaticRings: 1

Sugarmoiety
SD07417

CC1OC(OC2C(OC3C(C)OC(O)C(O)C3O)OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O