Glycoside
...
GD022664

Name:
None

Formula:
C37H38O9N4

Smiles:
COCCOCn1cnc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1=O

Aglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.COCCOCn1cnc2c(c1=O)N=C[N]2

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 0 FractionCSP3: 0.32
AlogP: 3.98 Num_rotatable_bonds: 14
MolWt: 682.73 Num_heavy_atoms: 50
TPSA: 142.23 NumAromaticRings: 5

Unique Aglycone
AD01054
Formula: C20H18O

Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1
HBA: 1 RingCount: 3
HBD: 0 FractionCSP3: 0.1
AlogP: 4.62 Num_rotatable_bonds: 4
MolWt: 274.36 Num_heavy_atoms: 21
TPSA: 9.23 NumAromaticRings: 3
AD15340
Formula: C9H11O3N4

Smiles:
COCCOCn1cnc2c(c1=O)N=C[N]2
HBA: 7 RingCount: 2
HBD: 0 FractionCSP3: 0.44
AlogP: -0.23 Num_rotatable_bonds: 5
MolWt: 223.21 Num_heavy_atoms: 16
TPSA: 79.81 NumAromaticRings: 1

Sugarmoiety
SD00105

CC(=O)OC1C(O)OC(O)C1OC(C)=O