Glycoside
...
GD108828

Name:
None

Formula:
C27H35O10N3

Smiles:
CC(=O)N[C@@H]1[C@H](O/N=C2\C(=O)N(CC(C)C)c3ccc(C)cc32)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccc2c(c1)C(=NO)C(=O)N2CC(C)C

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 1 FractionCSP3: 0.56
AlogP: 1.37 Num_rotatable_bonds: 9
MolWt: 561.59 Num_heavy_atoms: 40
TPSA: 159.13 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD44494
Formula: C13H16O2N2

Smiles:
Cc1ccc2c(c1)C(=NO)C(=O)N2CC(C)C
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.38
AlogP: 2.18 Num_rotatable_bonds: 2
MolWt: 232.28 Num_heavy_atoms: 17
TPSA: 52.9 NumAromaticRings: 1

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O