Glycoside
...
GD022900

Name:
None

Formula:
C59H95O16N5

Smiles:
CCOC(=O)c1cn(CC)c2ccc(N3CCN(CCO[C@@H]4[C@H](C)O[C@H](O[C@H]5[C@H](C)C(=O)O[C@@H](CC)[C@]6(C)OC(=O)O[C@H]6[C@@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@H](O[C@@H]6O[C@H](C)C[C@H](N(C)C)[C@H]6O)[C@H]5C)C[C@]4(C)OC)CC3)cc2c1=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)C2OC(=O)OC12C.CCOC(=O)c1cn(CC)c2ccc(N3CCN(CCO)CC3)cc2c1=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 2 FractionCSP3: 0.8
AlogP: 5.44 Num_rotatable_bonds: 15
MolWt: 1130.43 Num_heavy_atoms: 80
TPSA: 218.93 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
AD15469
Formula: C20H27O4N3

Smiles:
CCOC(=O)c1cn(CC)c2ccc(N3CCN(CCO)CC3)cc2c1=O
HBA: 7 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 1.31 Num_rotatable_bonds: 6
MolWt: 373.45 Num_heavy_atoms: 27
TPSA: 75.01 NumAromaticRings: 2

Sugarmoiety
SD00005

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