Glycoside
...
GD123733

Name:
None

Formula:
C35H41O14N4

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5N=CC=C5C4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C4O)cc3OCC21

Aglycone:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OCC21.NC([NH3+])COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 10 FractionCSP3: 0.46
AlogP: -1.56 Num_rotatable_bonds: 13
MolWt: 741.73 Num_heavy_atoms: 53
TPSA: 269.16 NumAromaticRings: 2

Unique Aglycone
AD45159
Formula: C5H11O4N2

Smiles:
NC([NH3+])COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 6 FractionCSP3: 0.6
AlogP: -2.47 Num_rotatable_bonds: 4
MolWt: 163.15 Num_heavy_atoms: 11
TPSA: 117.26 NumAromaticRings: 0
AD49955
Formula: C25H24O6N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5N=CC=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