Glycoside
...
GD149108

Name:
None

Formula:
C39H40O11N5

Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3OC3OC(C5(O)CCCCC5)C(O)C(O)C3O)C(=O)c3ccccc3C4=O)C2=N1

Aglycone:
OC1CCCCC1.[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2=N1

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

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 8 FractionCSP3: 0.38
AlogP: 0.01 Num_rotatable_bonds: 9
MolWt: 754.77 Num_heavy_atoms: 55
TPSA: 249.12 NumAromaticRings: 3

Unique Aglycone
AD06056
Formula: C6H12O

Smiles:
OC1CCCCC1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 1.0
AlogP: 1.31 Num_rotatable_bonds: 0
MolWt: 100.16 Num_heavy_atoms: 7
TPSA: 20.23 NumAromaticRings: 0
AD51605
Formula: C28H22O6N5

Smiles:
[NH2+]=C1N=C(O)C2=NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2=N1
HBA: 11 RingCount: 6
HBD: 5 FractionCSP3: 0.14
AlogP: 0.83 Num_rotatable_bonds: 6
MolWt: 524.51 Num_heavy_atoms: 39
TPSA: 169.97 NumAromaticRings: 3

Sugarmoiety
SD00017

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