Glycoside
...
GD031155

Name:
None

Formula:
C35H32O10N8S

Smiles:
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)c1nc2c3cnn(-c4ncnc5sc6c(c45)-c4ccccc4CC6)c3ncn2n1

Aglycone:
c1ccc2c(c1)CCc1sc3ncnc(-n4ncc5c4ncn4ncnc54)c3c1-2

Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 0 FractionCSP3: 0.34
AlogP: 3.2 Num_rotatable_bonds: 11
MolWt: 756.75 Num_heavy_atoms: 54
TPSA: 218.18 NumAromaticRings: 6

Unique Aglycone
AD20091
Formula: C20H12N8S

Smiles:
c1ccc2c(c1)CCc1sc3ncnc(-n4ncc5c4ncn4ncnc54)c3c1-2
HBA: 8 RingCount: 7
HBD: 0 FractionCSP3: 0.1
AlogP: 3.23 Num_rotatable_bonds: 1
MolWt: 396.44 Num_heavy_atoms: 29
TPSA: 86.68 NumAromaticRings: 6

Sugarmoiety
SD00291

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O