Glycoside
...
GD004613

Name:
None

Formula:
C53H79O12N

Smiles:
CC(C)c1ccc(C=CC(=O)N[C@H]2[C@H](O)[C@@H](O)[C@@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)O[C@H]2O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@H]3CC=C3[C@@H]5CC(C)(C)CC[C@@]5(C(=O)O)CC[C@]34C)C2(C)C)cc1

Aglycone:
CC(C)c1ccc(C=CC(N)=O)cc1.CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 7 FractionCSP3: 0.77
AlogP: 6.48 Num_rotatable_bonds: 10
MolWt: 922.21 Num_heavy_atoms: 66
TPSA: 204.47 NumAromaticRings: 1

Unique Aglycone
AD00086
Formula: C30H48O3

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 3 RingCount: 5
HBD: 2 FractionCSP3: 0.9
AlogP: 7.23 Num_rotatable_bonds: 1
MolWt: 456.71 Num_heavy_atoms: 33
TPSA: 57.53 NumAromaticRings: 0
AD04004
Formula: C12H15ON

Smiles:
CC(C)c1ccc(C=CC(N)=O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 2.31 Num_rotatable_bonds: 3
MolWt: 189.26 Num_heavy_atoms: 14
TPSA: 43.09 NumAromaticRings: 1

Sugarmoiety
SD00063

OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O