Glycoside
...
GD026293

Name:
None

Formula:
C20H34O14N4

Smiles:
COC(=O)NC[C@@H]1O[C@H](O[C@H]2[C@H](NC(=O)OC)C[C@@H](NC(=O)OC)[C@@H](O)[C@H]2O)[C@H](NC(=O)OC)[C@H](O)[C@H]1O

Aglycone:
CNC(=O)OC.COC(=O)NC1CC(NC(=O)OC)C(O)C(O)C1O.COC(N)=O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 2
HBD: 8 FractionCSP3: 0.8
AlogP: -3.53 Num_rotatable_bonds: 7
MolWt: 554.51 Num_heavy_atoms: 38
TPSA: 252.7 NumAromaticRings: 0

Unique Aglycone
AD00472
Formula: C3H7O2N

Smiles:
CNC(=O)OC
HBA: 3 RingCount: 0
HBD: 1 FractionCSP3: 0.67
AlogP: -0.03 Num_rotatable_bonds: 0
MolWt: 89.09 Num_heavy_atoms: 6
TPSA: 38.33 NumAromaticRings: 0
AD07653
Formula: C2H5O2N

Smiles:
COC(N)=O
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.5
AlogP: -0.29 Num_rotatable_bonds: 0
MolWt: 75.07 Num_heavy_atoms: 5
TPSA: 52.32 NumAromaticRings: 0
AD17340
Formula: C10H18O7N2

Smiles:
COC(=O)NC1CC(NC(=O)OC)C(O)C(O)C1O
HBA: 9 RingCount: 1
HBD: 5 FractionCSP3: 0.8
AlogP: -2.08 Num_rotatable_bonds: 2
MolWt: 278.26 Num_heavy_atoms: 19
TPSA: 137.35 NumAromaticRings: 0

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O