Glycoside
...
GD110537

Name:
None

Formula:
C34H35O11N3

Smiles:
CC(=O)N[C@H]1[C@H](O/N=C2\C(=O)N(CCOc3cccc4ccccc34)c3ccccc32)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1C(=NO)c2ccccc2N1CCOc1cccc2ccccc12

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

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 1 FractionCSP3: 0.35
AlogP: 2.64 Num_rotatable_bonds: 11
MolWt: 661.66 Num_heavy_atoms: 48
TPSA: 168.36 NumAromaticRings: 3

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
AD44651
Formula: C20H16O3N2

Smiles:
O=C1C(=NO)c2ccccc2N1CCOc1cccc2ccccc12
HBA: 5 RingCount: 4
HBD: 1 FractionCSP3: 0.1
AlogP: 3.44 Num_rotatable_bonds: 4
MolWt: 332.36 Num_heavy_atoms: 25
TPSA: 62.13 NumAromaticRings: 3

Sugarmoiety
SD00131

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