Glycoside
...
GD141659

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

Formula:
C48H76O17

Smiles:
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC6=C(CCC7C6(C)CCC6C(C)(C)C(=O)CCC67C)C4(C)CC(C)(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2(C)C1

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.92
AlogP: 1.52 Num_rotatable_bonds: 8
MolWt: 925.12 Num_heavy_atoms: 65
TPSA: 271.59 NumAromaticRings: 0

Unique Aglycone
AD57053
Formula: C30H46O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2(C)C1
HBA: 3 RingCount: 5
HBD: 1 FractionCSP3: 0.87
AlogP: 7.59 Num_rotatable_bonds: 1
MolWt: 454.7 Num_heavy_atoms: 33
TPSA: 54.37 NumAromaticRings: 0

Sugarmoiety
SD00047

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