Glycoside
...
GD134223

Name:
None

Formula:
C40H48O14N6

Smiles:
CNC(=N)NC(CCO)c1c(C)cc2c(c1O)C(=O)c1c(OC3OC(CO)C(O)(CC(CN4C(=O)C=CC4=O)C4=CCNC(N)=C4)C(O)C3O)cc(OC)c(CO)c1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NC(CCO)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 13 FractionCSP3: 0.42
AlogP: -2.05 Num_rotatable_bonds: 14
MolWt: 836.85 Num_heavy_atoms: 60
TPSA: 326.78 NumAromaticRings: 2

Unique Aglycone
AD45449
Formula: C12H15O2N3

Smiles:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.33
AlogP: -0.12 Num_rotatable_bonds: 3
MolWt: 233.27 Num_heavy_atoms: 17
TPSA: 75.43 NumAromaticRings: 0
AD50467
Formula: C22H25O7N3

Smiles:
CNC(=N)NC(CCO)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 10 RingCount: 3
HBD: 7 FractionCSP3: 0.32
AlogP: 0.85 Num_rotatable_bonds: 6
MolWt: 443.46 Num_heavy_atoms: 32
TPSA: 172.2 NumAromaticRings: 2

Sugarmoiety
SD04299

OCC1OC(O)C(O)C(O)C1(O)O