Glycoside
...
GD023656

Name:
None

Formula:
C56H91O17N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)CCNCCCCNc3ccc4c(=O)c(C(=O)O)cn(CC)c4c3)[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)NC(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)NC(=O)C(C)C(O)C1(C)O.CCn1cc(C(=O)O)c(=O)c2ccc(NCCCCNCCC(=O)O)cc21

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

Other Identifiers

Properties
HBA: 22 RingCount: 5
HBD: 8 FractionCSP3: 0.77
AlogP: 3.54 Num_rotatable_bonds: 19
MolWt: 1106.36 Num_heavy_atoms: 78
TPSA: 295.37 NumAromaticRings: 2

Unique Aglycone
AD00177
Formula: C29H54O10N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)NC(=O)C(C)C(O)C1(C)O
HBA: 12 RingCount: 2
HBD: 6 FractionCSP3: 0.93
AlogP: 0.16 Num_rotatable_bonds: 4
MolWt: 590.76 Num_heavy_atoms: 41
TPSA: 178.25 NumAromaticRings: 0
AD06585
Formula: C19H25O5N3

Smiles:
CCn1cc(C(=O)O)c(=O)c2ccc(NCCCCNCCC(=O)O)cc21
HBA: 8 RingCount: 2
HBD: 4 FractionCSP3: 0.42
AlogP: 1.98 Num_rotatable_bonds: 11
MolWt: 375.43 Num_heavy_atoms: 27
TPSA: 120.66 NumAromaticRings: 2

Sugarmoiety
SD00005

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