Glycoside
...
GD030726

Name:
None

Formula:
C60H95O17N4Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCOCCNc3cc4c(=O)c(C(=O)OC(C)C)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](O)[C@]1(C)O

Aglycone:
CC(C)OC(=O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCC(=O)O)cc2c1=O.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(O)C1(C)O

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

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 5 FractionCSP3: 0.8
AlogP: 5.84 Num_rotatable_bonds: 18
MolWt: 1167.87 Num_heavy_atoms: 81
TPSA: 255.71 NumAromaticRings: 2

Unique Aglycone
AD00728
Formula: C30H58O9N2

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(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0
AD19872
Formula: C22H25O6N2Cl

Smiles:
CC(C)OC(=O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCC(=O)O)cc2c1=O
HBA: 8 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 3.46 Num_rotatable_bonds: 10
MolWt: 436.89 Num_heavy_atoms: 30
TPSA: 106.86 NumAromaticRings: 2

Sugarmoiety
SD00005

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