Glycoside
...
GD131441

Name:
5-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 10-({6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-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:
C68H110O34

Smiles:
CC1OC(OCC2OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OCC(O)C(O)C7O)C(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)C(O)CC45C)C3(C)C)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 34 RingCount: 12
HBD: 19 FractionCSP3: 0.96
AlogP: -6.01 Num_rotatable_bonds: 16
MolWt: 1471.59 Num_heavy_atoms: 102
TPSA: 530.66 NumAromaticRings: 0

Unique Aglycone
AD00309
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.2 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD07365

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C(O)C1O.OC1COC(OCC2OC(O)C(O)C(O)C2OC2OCC(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C1O