Glycoside
...
GD002280

Name:
None

Formula:
C57H91O16N5

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OCCN3CCN(c4ccc5c(c4)c(=O)c(C(=O)O)cn5CC)CC3)[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.CCn1cc(C(=O)O)c(=O)c2cc(N3CCN(CCO)CC3)ccc21

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

Other Identifiers

Properties
HBA: 21 RingCount: 7
HBD: 3 FractionCSP3: 0.79
AlogP: 4.96 Num_rotatable_bonds: 14
MolWt: 1102.37 Num_heavy_atoms: 78
TPSA: 229.93 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
AD02191
Formula: C18H23O4N3

Smiles:
CCn1cc(C(=O)O)c(=O)c2cc(N3CCN(CCO)CC3)ccc21
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.44
AlogP: 0.83 Num_rotatable_bonds: 5
MolWt: 345.4 Num_heavy_atoms: 25
TPSA: 86.01 NumAromaticRings: 2

Sugarmoiety
SD00005

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