Glycoside
...
GD035489

Name:
None

Formula:
C57H76O16N4

Smiles:
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)NN=Cc7ccc(O)cc7)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C(=O)NN=Cc7ccc(O)cc7)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.O=CNN=Cc1ccc(O)cc1.O=CNN=Cc1ccc(O)cc1

Sugarmoiety:
OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 9
HBD: 9 FractionCSP3: 0.65
AlogP: 3.88 Num_rotatable_bonds: 11
MolWt: 1073.25 Num_heavy_atoms: 77
TPSA: 304.82 NumAromaticRings: 2

Unique Aglycone
AD05322
Formula: C31H48O4

Smiles:
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 1 FractionCSP3: 0.87
AlogP: 6.5 Num_rotatable_bonds: 1
MolWt: 484.72 Num_heavy_atoms: 35
TPSA: 63.6 NumAromaticRings: 0
AD22448
Formula: C8H8O2N2

Smiles:
O=CNN=Cc1ccc(O)cc1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 0.47 Num_rotatable_bonds: 3
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 61.69 NumAromaticRings: 1

Sugarmoiety
SD00502

OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O