Glycoside
...
GD142100

Name:
None

Formula:
C38H44O14N6

Smiles:
CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(OC3OC(O)(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)NCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O

Sugarmoiety:
OCC1(O)OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 13 FractionCSP3: 0.39
AlogP: -2.65 Num_rotatable_bonds: 12
MolWt: 808.8 Num_heavy_atoms: 58
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
AD45476
Formula: C20H21O6N3

Smiles:
CNC(=N)NCc1c(C)cc2c(c1O)C(=O)c1c(O)cc(OC)c(CO)c1C2=O
HBA: 9 RingCount: 3
HBD: 6 FractionCSP3: 0.25
AlogP: 0.93 Num_rotatable_bonds: 4
MolWt: 399.4 Num_heavy_atoms: 29
TPSA: 151.97 NumAromaticRings: 2

Sugarmoiety
SD04528

OCC1(O)OC(O)C(O)C(O)C1(O)O