Glycoside
...
GD108072

Name:
None

Formula:
C28H32O10N2

Smiles:
CC(=O)N[C@H]1[C@H](Oc2ccccc2C(=O)NCc2ccccc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C(NCc1ccccc1)c1ccccc1O

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.39
AlogP: 1.65 Num_rotatable_bonds: 10
MolWt: 556.57 Num_heavy_atoms: 40
TPSA: 155.56 NumAromaticRings: 2

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
AD44394
Formula: C14H13O2N

Smiles:
O=C(NCc1ccccc1)c1ccccc1O
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.32 Num_rotatable_bonds: 3
MolWt: 227.26 Num_heavy_atoms: 17
TPSA: 49.33 NumAromaticRings: 2

Sugarmoiety
SD00131

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