Glycoside
...
GD120759

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

Formula:
C60H96O31

Smiles:
CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)OOC6OC(CO)C(O)C(O)C6O)C5CCC43C)C2C1

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

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OCC3OC(O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 31 RingCount: 10
HBD: 18 FractionCSP3: 0.93
AlogP: -5.78 Num_rotatable_bonds: 16
MolWt: 1313.4 Num_heavy_atoms: 91
TPSA: 499.81 NumAromaticRings: 0

Unique Aglycone
AD48549
Formula: C30H46O6

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)OO)C5CCC43C)C2C1
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 6.23 Num_rotatable_bonds: 2
MolWt: 502.69 Num_heavy_atoms: 36
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD02597

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OCC3OC(O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O