Glycoside
...
GD137913

Name:
None

Formula:
C41H40O11N7

Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3OC3OC(CO)C(O)C(O)C3OCCc3cc[nH]c(=[NH2+])c3)C(=O)c3ccccc3C4=O)C2=N1

Aglycone:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2=N1.[NH2+]=c1cc(CCO)cc[nH]1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 9 FractionCSP3: 0.29
AlogP: -0.62 Num_rotatable_bonds: 13
MolWt: 806.81 Num_heavy_atoms: 59
TPSA: 277.76 NumAromaticRings: 4

Unique Aglycone
AD51604
Formula: C28H21O6N5

Smiles:
N=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2=N1
HBA: 11 RingCount: 6
HBD: 4 FractionCSP3: 0.14
AlogP: 2.65 Num_rotatable_bonds: 6
MolWt: 523.51 Num_heavy_atoms: 39
TPSA: 168.23 NumAromaticRings: 3
AD53791
Formula: C7H11ON2

Smiles:
[NH2+]=c1cc(CCO)cc[nH]1
HBA: 3 RingCount: 1
HBD: 4 FractionCSP3: 0.29
AlogP: -1.79 Num_rotatable_bonds: 2
MolWt: 139.18 Num_heavy_atoms: 10
TPSA: 61.61 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O