Glycoside
...
GD014176

Name:
None

Formula:
C59H97O18N3

Smiles:
CCCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC(=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)ccc21

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(CCCOCCOCCC(=O)O)ccc21

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

Other Identifiers

Properties
HBA: 21 RingCount: 5
HBD: 5 FractionCSP3: 0.8
AlogP: 4.93 Num_rotatable_bonds: 21
MolWt: 1136.43 Num_heavy_atoms: 80
TPSA: 263.91 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
AD10465
Formula: C21H27O7N

Smiles:
CCCn1cc(C(=O)O)c(=O)c2cc(CCCOCCOCCC(=O)O)ccc21
HBA: 8 RingCount: 2
HBD: 2 FractionCSP3: 0.48
AlogP: 2.55 Num_rotatable_bonds: 13
MolWt: 405.45 Num_heavy_atoms: 29
TPSA: 115.06 NumAromaticRings: 2

Sugarmoiety
SD00005

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