Glycoside
...
GD026378

Name:
None

Formula:
C25H34O5N6

Smiles:
CC[C@H](C)[C@H](N)C(=O)OC[C@@H]1O[C@H](CCn2cnc3c(NCc4ccccc4)ncnc32)[C@H](O)[C@H]1O

Aglycone:
CCC(C)C(N)C(=O)OC.CCn1cnc2c(NCc3ccccc3)ncnc21

Sugarmoiety:
OC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 5 FractionCSP3: 0.52
AlogP: 1.23 Num_rotatable_bonds: 11
MolWt: 498.58 Num_heavy_atoms: 36
TPSA: 157.64 NumAromaticRings: 3

Unique Aglycone
AD04462
Formula: C14H15N5

Smiles:
CCn1cnc2c(NCc3ccccc3)ncnc21
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.21
AlogP: 2.46 Num_rotatable_bonds: 4
MolWt: 253.31 Num_heavy_atoms: 19
TPSA: 55.63 NumAromaticRings: 3
AD10135
Formula: C7H15O2N

Smiles:
CCC(C)C(N)C(=O)OC
HBA: 3 RingCount: 0
HBD: 2 FractionCSP3: 0.86
AlogP: 0.53 Num_rotatable_bonds: 3
MolWt: 145.2 Num_heavy_atoms: 10
TPSA: 52.32 NumAromaticRings: 0

Sugarmoiety
SD00018

OC1OC(O)C(O)C1O