Glycoside
...
GD150240

Name:
None

Formula:
C35H40O14N4

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5C=CN=C5C4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3OCC21

Aglycone:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21.NC(N)COC(=O)CC(=O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 9 FractionCSP3: 0.46
AlogP: -0.84 Num_rotatable_bonds: 13
MolWt: 740.72 Num_heavy_atoms: 53
TPSA: 267.54 NumAromaticRings: 2

Unique Aglycone
AD45165
Formula: C5H10O4N2

Smiles:
NC(N)COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.6
AlogP: -1.75 Num_rotatable_bonds: 4
MolWt: 162.14 Num_heavy_atoms: 11
TPSA: 115.64 NumAromaticRings: 0
AD58424
Formula: C25H24O6N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.32
AlogP: 3.05 Num_rotatable_bonds: 6
MolWt: 448.48 Num_heavy_atoms: 33
TPSA: 92.98 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O