Glycoside
...
GD023413

Name:
None

Formula:
C32H34O6N4

Smiles:
COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)[C@H](O)[C@H](O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)CC2

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.COc1cc2c(cc1OC)C(c1ccccc1)NCC2

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 3 FractionCSP3: 0.28
AlogP: 2.96 Num_rotatable_bonds: 9
MolWt: 570.65 Num_heavy_atoms: 42
TPSA: 126.15 NumAromaticRings: 4

Unique Aglycone
AD01153
Formula: C11H13N3

Smiles:
CC(N)c1ccc(-n2cccn2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.89 Num_rotatable_bonds: 2
MolWt: 187.25 Num_heavy_atoms: 14
TPSA: 43.84 NumAromaticRings: 2
AD15749
Formula: C17H19O2N

Smiles:
COc1cc2c(cc1OC)C(c1ccccc1)NCC2
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.29
AlogP: 2.94 Num_rotatable_bonds: 3
MolWt: 269.34 Num_heavy_atoms: 20
TPSA: 30.49 NumAromaticRings: 2

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O