Glycoside
...
GD153564

Name:
None

Formula:
C41H47O11N7

Smiles:
NC1=CC(CCOC2C(Oc3c(Cc4ccccc4N4CNC5C(O)=NC(N)NC54)cc4c(c3OCCO)C(=O)c3ccccc3C4=O)OC(CO)C(O)C2O)=CCN1

Aglycone:
NC1=CC(CCO)=CCN1.NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCCO)c3O)C(=O)c3ccccc3C4=O)C2N1

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 12 FractionCSP3: 0.39
AlogP: -0.79 Num_rotatable_bonds: 13
MolWt: 813.87 Num_heavy_atoms: 59
TPSA: 275.94 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
AD51500
Formula: C7H12ON2

Smiles:
NC1=CC(CCO)=CCN1
HBA: 3 RingCount: 1
HBD: 4 FractionCSP3: 0.43
AlogP: -0.3 Num_rotatable_bonds: 2
MolWt: 140.19 Num_heavy_atoms: 10
TPSA: 58.28 NumAromaticRings: 0

Sugarmoiety
SD00003

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