Glycoside
...
GD032657

Name:
None

Formula:
C57H88O16N5Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OCCNCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[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)c1cn(C2CC2)c2cc(Cl)c(NCCNCCO)cc2c1=O

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

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 5 FractionCSP3: 0.79
AlogP: 5.81 Num_rotatable_bonds: 17
MolWt: 1122.79 Num_heavy_atoms: 78
TPSA: 247.51 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
AD02064
Formula: C18H20O4N3Cl

Smiles:
O=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCNCCO)cc2c1=O
HBA: 7 RingCount: 3
HBD: 4 FractionCSP3: 0.41
AlogP: 1.68 Num_rotatable_bonds: 8
MolWt: 365.82 Num_heavy_atoms: 25
TPSA: 103.59 NumAromaticRings: 2

Sugarmoiety
SD00005

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