Glycoside
...
GD144470

Name:
None

Formula:
C49H60O16N8

Smiles:
CNC(=N)NCc1c(O)c2c(c3c1CC(C1=CNC(N)C=C1)C(CCO)CC3)C(=O)c1c(CO)c(OC)cc(OC3OC(O)(C(O)O)C(O)(CC(CN4C(=O)C=CC4=O)C4=CCNC(N)=C4)C(O)C3O)c1C2=O

Aglycone:
CC(CN1C(=O)C=CC1=O)C1=CCNC(N)=C1.CNC(=N)NCc1c(O)c2c(c3c1CC(C1=CNC(N)C=C1)C(CCO)CC3)C(=O)c1c(CO)c(OC)cc(O)c1C2=O

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

Other Identifiers

Properties
HBA: 24 RingCount: 8
HBD: 18 FractionCSP3: 0.45
AlogP: -3.21 Num_rotatable_bonds: 15
MolWt: 1017.06 Num_heavy_atoms: 73
TPSA: 405.29 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
AD49969
Formula: C31H37O7N5

Smiles:
CNC(=N)NCc1c(O)c2c(c3c1CC(C1=CNC(N)C=C1)C(CCO)CC3)C(=O)c1c(CO)c(OC)cc(O)c1C2=O
HBA: 12 RingCount: 5
HBD: 10 FractionCSP3: 0.39
AlogP: 1.05 Num_rotatable_bonds: 7
MolWt: 591.67 Num_heavy_atoms: 43
TPSA: 210.25 NumAromaticRings: 2

Sugarmoiety
SD04755

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