Glycoside
...
GD111205

Name:
None

Formula:
C33H34O10N4

Smiles:
C[C@@]1(OCOc2cccnc2)[C@@](O)(COCOc2cccnc2)O[C@](C)(COC(=O)c2cccnc2)[C@@]1(C)OC(=O)c1cccnc1

Aglycone:
COC(=O)c1cccnc1.COCOc1cccnc1.O=C(O)c1cccnc1.OCOc1cccnc1

Sugarmoiety:
CC1(O)OC(O)(O)C(C)(O)C1(C)O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 1 FractionCSP3: 0.33
AlogP: 3.38 Num_rotatable_bonds: 14
MolWt: 646.65 Num_heavy_atoms: 47
TPSA: 170.54 NumAromaticRings: 4

Unique Aglycone
AD05813
Formula: C7H7O2N

Smiles:
COC(=O)c1cccnc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 0.87 Num_rotatable_bonds: 1
MolWt: 137.14 Num_heavy_atoms: 10
TPSA: 39.19 NumAromaticRings: 1
AD07870
Formula: C6H5O2N

Smiles:
O=C(O)c1cccnc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 0.78 Num_rotatable_bonds: 1
MolWt: 123.11 Num_heavy_atoms: 9
TPSA: 50.19 NumAromaticRings: 1
AD44699
Formula: C7H9O2N

Smiles:
COCOc1cccnc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.29
AlogP: 1.06 Num_rotatable_bonds: 3
MolWt: 139.15 Num_heavy_atoms: 10
TPSA: 31.35 NumAromaticRings: 1
AD44700
Formula: C6H7O2N

Smiles:
OCOc1cccnc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.17
AlogP: 0.41 Num_rotatable_bonds: 2
MolWt: 125.13 Num_heavy_atoms: 9
TPSA: 42.35 NumAromaticRings: 1

Sugarmoiety
SD04253

CC1(O)OC(O)(O)C(C)(O)C1(C)O