Glycoside
...
GD008756

Name:
None

Formula:
C44H70O16N4

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](NC(=O)COc3cc(N=[N+]=[N-])ccc3CO)[C@H]2O)[C@@](C)(O)C[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NC(=O)COc3cc(N=[N+]=[N-])ccc3CO)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O

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

Other Identifiers

Properties
HBA: 20 RingCount: 4
HBD: 7 FractionCSP3: 0.8
AlogP: 2.85 Num_rotatable_bonds: 12
MolWt: 911.06 Num_heavy_atoms: 64
TPSA: 297.99 NumAromaticRings: 1

Unique Aglycone
AD06951
Formula: C36H56O13N4

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(NC(=O)COc3cc(N=[N+]=[N-])ccc3CO)C2O)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O
HBA: 17 RingCount: 3
HBD: 7 FractionCSP3: 0.75
AlogP: 1.93 Num_rotatable_bonds: 9
MolWt: 752.86 Num_heavy_atoms: 53
TPSA: 270.3 NumAromaticRings: 1

Sugarmoiety
SD00005

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