Glycoside
...
GD114780

Name:
None

Formula:
C38H43O11N5

Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCCO)c3OC3OC(C5(O)CCCC5)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2N1

Aglycone:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2N1.OC1CCCC1

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 10 FractionCSP3: 0.45
AlogP: -0.22 Num_rotatable_bonds: 9
MolWt: 745.79 Num_heavy_atoms: 54
TPSA: 248.89 NumAromaticRings: 3

Unique Aglycone
AD45278
Formula: C28H27O6N5

Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2N1
HBA: 11 RingCount: 6
HBD: 7 FractionCSP3: 0.25
AlogP: 0.99 Num_rotatable_bonds: 6
MolWt: 529.55 Num_heavy_atoms: 39
TPSA: 169.74 NumAromaticRings: 3
AD45279
Formula: C5H10O

Smiles:
OC1CCCC1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 1.0
AlogP: 0.92 Num_rotatable_bonds: 0
MolWt: 86.13 Num_heavy_atoms: 6
TPSA: 20.23 NumAromaticRings: 0

Sugarmoiety
SD00017

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