Glycoside
...
GD129476

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

Formula:
C59H96O28

Smiles:
CC1OC(OC2C(CO)OC(O)(OCC3OC(O)(OC(=O)C4CC(C)(C)CC5C6=CCC7C8(C)CCC(OC9(C%10OCC(O)C(O)C%10O)OC(C)C(O)C(O)C9O)C(C)(C)C8CCC7(C)C6(C)CC(O)C45)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CC(C(=O)O)C2C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(O)(C2OCC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(O)(OCC3OC(O)(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 28 RingCount: 10
HBD: 18 FractionCSP3: 0.95
AlogP: -4.66 Num_rotatable_bonds: 11
MolWt: 1253.39 Num_heavy_atoms: 87
TPSA: 464.28 NumAromaticRings: 0

Unique Aglycone
AD44759
Formula: C30H48O4

Smiles:
CC1(C)CC(C(=O)O)C2C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.06 Num_rotatable_bonds: 1
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD07089

CC1OC(O)(C2OCC(O)C(O)C2O)C(O)C(O)C1O.CC1OC(OC2C(CO)OC(O)(OCC3OC(O)(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O