Glycoside
...
GD005332

Name:
ARDISIANOSIDE C

Formula:
C47H78O16

Smiles:
C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CO[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC[C@]57OC[C@]8(CCC(C)(C)C[C@@H]58)[C@H](O)C[C@]76C)C4(C)C)[C@H](O)[C@H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:
CC1OC(OC2C(OC3COC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 9 FractionCSP3: 1.0
AlogP: 1.49 Num_rotatable_bonds: 7
MolWt: 899.13 Num_heavy_atoms: 63
TPSA: 246.68 NumAromaticRings: 0

Unique Aglycone
AD04545
Formula: C30H50O3

Smiles:
CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1
HBA: 3 RingCount: 6
HBD: 2 FractionCSP3: 1.0
AlogP: 6.35 Num_rotatable_bonds: 0
MolWt: 458.73 Num_heavy_atoms: 33
TPSA: 49.69 NumAromaticRings: 0

Sugarmoiety
SD00995

CC1OC(OC2C(OC3COC(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O