Glycoside
...
GD036746

Name:
None

Formula:
C57H68O23

Smiles:
CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)C[C@H](O)[C@H](OC(=O)c6cc(O)c(O)c(O)c6)C6(COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)c6cc(O)c(O)c(O)c6)C6(COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 23 RingCount: 10
HBD: 14 FractionCSP3: 0.58
AlogP: 4.33 Num_rotatable_bonds: 5
MolWt: 1121.15 Num_heavy_atoms: 80
TPSA: 397.65 NumAromaticRings: 3

Unique Aglycone
AD23177
Formula: C51H58O18

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC(=O)c6cc(O)c(O)c(O)c6)C6(COC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC6)C5CCC43C)C2C1
HBA: 18 RingCount: 9
HBD: 11 FractionCSP3: 0.53
AlogP: 7.07 Num_rotatable_bonds: 3
MolWt: 959.01 Num_heavy_atoms: 69
TPSA: 318.5 NumAromaticRings: 3

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O