Glycoside
...
GD021710

Name:
None

Formula:
C50H80O14N6

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCc3cn(Cc4ccccc4)nn3)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@@H]2OC(=O)O[C@]12C

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C.O=C(O)NCc1cn(Cc2ccccc2)nn1

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 3 FractionCSP3: 0.78
AlogP: 4.66 Num_rotatable_bonds: 12
MolWt: 989.22 Num_heavy_atoms: 70
TPSA: 223.96 NumAromaticRings: 2

Unique Aglycone
AD00823
Formula: C31H56O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C2OC(=O)OC12C
HBA: 12 RingCount: 3
HBD: 3 FractionCSP3: 0.94
AlogP: 2.16 Num_rotatable_bonds: 4
MolWt: 616.79 Num_heavy_atoms: 43
TPSA: 147.46 NumAromaticRings: 0
AD03346
Formula: C11H12O2N4

Smiles:
O=C(O)NCc1cn(Cc2ccccc2)nn1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.09 Num_rotatable_bonds: 4
MolWt: 232.24 Num_heavy_atoms: 17
TPSA: 80.04 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O