Glycoside
...
GD009683

Name:
None

Formula:
C52H86O16N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OC(=O)NCCCCNC(=O)c3ccccc3OC)[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.COc1ccccc1C(=O)NCCCCNC(=O)O

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 4 FractionCSP3: 0.81
AlogP: 5.04 Num_rotatable_bonds: 15
MolWt: 1023.27 Num_heavy_atoms: 72
TPSA: 231.58 NumAromaticRings: 1

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
AD07570
Formula: C13H18O4N2

Smiles:
COc1ccccc1C(=O)NCCCCNC(=O)O
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.38
AlogP: 1.47 Num_rotatable_bonds: 7
MolWt: 266.3 Num_heavy_atoms: 19
TPSA: 87.66 NumAromaticRings: 1

Sugarmoiety
SD00005

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