Glycoside
...
GD005773

Name:
None

Formula:
C56H83O17N2Cl

Smiles:
CC(=O)O[C@@H](C)C=CC(=O)N[C@@H]1C[C@@H](C)[C@H](CC=C(C)C=C[C@@H]2O[C@@](C)(O)[C@@H](O)[C@](O)(COC(=O)C[C@H]3C[C@@](O)(CCl)C[C@@H](C=CC(C)=CC[C@@H]4O[C@@H](C)[C@H](NC(=O)C=C[C@@H](C)OC(C)=O)C[C@@H]4C)O3)[C@@H]2O)O[C@@H]1C

Aglycone:
C=CC(C)=CCC1OC(C)C(NC(=O)C=CC(C)OC(C)=O)CC1C.COC(=O)CC1CC(O)(CCl)CC(C=CC(C)=CCC2OC(C)C(NC(=O)C=CC(C)OC(C)=O)CC2C)O1

Sugarmoiety:
CC1(O)OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 4
HBD: 7 FractionCSP3: 0.69
AlogP: 4.39 Num_rotatable_bonds: 21
MolWt: 1079.72 Num_heavy_atoms: 75
TPSA: 275.17 NumAromaticRings: 0

Unique Aglycone
AD04853
Formula: C20H31O4N

Smiles:
C=CC(C)=CCC1OC(C)C(NC(=O)C=CC(C)OC(C)=O)CC1C
HBA: 5 RingCount: 1
HBD: 1 FractionCSP3: 0.6
AlogP: 3.31 Num_rotatable_bonds: 7
MolWt: 349.47 Num_heavy_atoms: 25
TPSA: 64.63 NumAromaticRings: 0
AD04854
Formula: C30H44O8NCl

Smiles:
COC(=O)CC1CC(O)(CCl)CC(C=CC(C)=CCC2OC(C)C(NC(=O)C=CC(C)OC(C)=O)CC2C)O1
HBA: 9 RingCount: 2
HBD: 2 FractionCSP3: 0.69
AlogP: 3.77 Num_rotatable_bonds: 11
MolWt: 570.12 Num_heavy_atoms: 39
TPSA: 120.39 NumAromaticRings: 0

Sugarmoiety
SD01049

CC1(O)OC(O)C(O)C(O)(O)C1O