Glycoside
...
GD011180

Name:
None

Formula:
C59H95O18N4Cl

Smiles:
CCCn1cc(C(=O)O)c(=O)c2cc(NCCOCCOCCC(=O)O[C@@H]3[C@H](C)O[C@H](O[C@H]4[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H](C)N(C)C[C@@H](C)C[C@](C)(O)[C@@H](O[C@@H]5O[C@H](C)C[C@H](N(C)C)[C@H]5O)[C@H]4C)C[C@]3(C)OC)c(Cl)cc21

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(O)C1(C)O.CCCn1cc(C(=O)O)c(=O)c2cc(NCCOCCOCCC(=O)O)c(Cl)cc21

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 6 FractionCSP3: 0.79
AlogP: 5.06 Num_rotatable_bonds: 21
MolWt: 1171.86 Num_heavy_atoms: 81
TPSA: 275.94 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
AD08570
Formula: C21H25O7N2Cl

Smiles:
CCCn1cc(C(=O)O)c(=O)c2cc(NCCOCCOCCC(=O)O)c(Cl)cc21
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.45
AlogP: 2.68 Num_rotatable_bonds: 13
MolWt: 440.88 Num_heavy_atoms: 30
TPSA: 127.09 NumAromaticRings: 2

Sugarmoiety
SD00005

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