Glycoside
...
GD156023

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

Formula:
C53H86O21

Smiles:
CC1OC(OC2C(C)OC(OC3CCC4(C)C5CCC6=C(CCC7(C(=O)OC8OC(COC9OC(CO)C(O)C(O)C9O)C(O)C(O)C8O)CCC(C)(C)CC67)C5(C)CCC4C3(C)C)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(C)OC(O)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: 21 RingCount: 9
HBD: 12 FractionCSP3: 0.94
AlogP: -0.23 Num_rotatable_bonds: 10
MolWt: 1059.25 Num_heavy_atoms: 74
TPSA: 333.67 NumAromaticRings: 0

Unique Aglycone
AD47165
Formula: C29H46O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 6.99 Num_rotatable_bonds: 1
MolWt: 442.68 Num_heavy_atoms: 32
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD10416

CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O