Glycoside
...
GD147031

Name:
None

Formula:
C46H56O14N8

Smiles:
CNC(=N)NC(CCO)c1c(CCC2=CNC(N)C=C2)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(CCC2=CNC(N)C=C2)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: 22 RingCount: 7
HBD: 16 FractionCSP3: 0.41
AlogP: -2.09 Num_rotatable_bonds: 17
MolWt: 945.0 Num_heavy_atoms: 68
TPSA: 364.83 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
AD58898
Formula: C28H33O7N5

Smiles:
CNC(=N)NC(CCO)c1c(CCC2=CNC(N)C=C2)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 12 RingCount: 4
HBD: 10 FractionCSP3: 0.32
AlogP: 0.8 Num_rotatable_bonds: 9
MolWt: 551.6 Num_heavy_atoms: 40
TPSA: 210.25 NumAromaticRings: 2

Sugarmoiety
SD04299

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