Glycoside
...
GD143930

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

Formula:
C76H124O40

Smiles:
CC1OC(OC2C(O)C(OC3C(O)C(C)OC(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)CCC8(C(=O)OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)CCC67C)C5(C)CO)OCC(O)C4O)C3O)OC(CO)C2OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)C(OC3C(O)C(C)OC(OC4C(O)OCC(O)C4O)C3O)OC(CO)C2OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 40 RingCount: 13
HBD: 23 FractionCSP3: 0.96
AlogP: -8.43 Num_rotatable_bonds: 21
MolWt: 1677.79 Num_heavy_atoms: 116
TPSA: 630.04 NumAromaticRings: 0

Unique Aglycone
AD00356
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.21 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD07446

CC1OC(OC2C(O)C(OC3C(O)C(C)OC(OC4C(O)OCC(O)C4O)C3O)OC(CO)C2OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O