Glycoside
...
GD033458

Name:
None

Formula:
C56H88O14N8

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](OC(=O)NCc2ccncc2)[C@]1(C)O

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)C(OC(=O)NCc2ccncc2)C1(C)O.O=C(O)NCc1cn(Cc2ccccc2)nn1

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

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 5 FractionCSP3: 0.71
AlogP: 4.8 Num_rotatable_bonds: 15
MolWt: 1097.36 Num_heavy_atoms: 78
TPSA: 259.88 NumAromaticRings: 3

Unique Aglycone
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
AD21355
Formula: C37H64O10N4

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)C(OC(=O)NCc2ccncc2)C1(C)O
HBA: 14 RingCount: 3
HBD: 5 FractionCSP3: 0.81
AlogP: 2.3 Num_rotatable_bonds: 7
MolWt: 724.94 Num_heavy_atoms: 51
TPSA: 183.38 NumAromaticRings: 1

Sugarmoiety
SD00005

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