Glycoside
...
GD136038

Name:
None

Formula:
C44H51O13N7

Smiles:
NC1=CC(CCOC2C(Oc3c(Cc4ccccc4N4CNC5C(O)=NC(N)NC54)cc4c(c3OCC(O)CC=O)C(=O)c3cc(CO)ccc3C4=O)OC(CO)C(O)C2O)=CCN1

Aglycone:
NC1=CC(CCO)=CCN1.NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 13 FractionCSP3: 0.41
AlogP: -1.34 Num_rotatable_bonds: 16
MolWt: 885.93 Num_heavy_atoms: 64
TPSA: 313.24 NumAromaticRings: 3

Unique Aglycone
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
AD54025
Formula: C31H31O8N5

Smiles:
NC1N=C(O)C2NCN(c3ccccc3Cc3cc4c(c(OCC(O)CC=O)c3O)C(=O)c3cc(CO)ccc3C4=O)C2N1
HBA: 13 RingCount: 6
HBD: 8 FractionCSP3: 0.29
AlogP: 0.44 Num_rotatable_bonds: 9
MolWt: 601.62 Num_heavy_atoms: 44
TPSA: 207.04 NumAromaticRings: 3

Sugarmoiety
SD00003

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