Glycoside
...
GD019512

Name:
None

Formula:
C51H82O14N6

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCc3cn(Cc4cccc(C)c4)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.Cc1cccc(Cn2cc(CNC(=O)O)nn2)c1

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

Other Identifiers

Properties
HBA: 20 RingCount: 6
HBD: 3 FractionCSP3: 0.78
AlogP: 4.97 Num_rotatable_bonds: 12
MolWt: 1003.24 Num_heavy_atoms: 71
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
AD10302
Formula: C12H14O2N4

Smiles:
Cc1cccc(Cn2cc(CNC(=O)O)nn2)c1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.25
AlogP: 1.4 Num_rotatable_bonds: 4
MolWt: 246.27 Num_heavy_atoms: 18
TPSA: 80.04 NumAromaticRings: 2

Sugarmoiety
SD00005

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