Glycoside
...
GD035918

Name:
None

Formula:
C53H87O22N5

Smiles:
CO[C@H]1[C@H](OC)[C@H](C)O[C@H](OC(=O)C[C@H](C)CC(=O)O[C@H](CCCCCCCCCCC(C)C)CC(=O)O[C@@H]2CN(C)[C@H]([C@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H]3O)[C@@H]3O[C@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@H]3O)C(=O)N(C)[C@H]2C(=O)O)[C@@H]1OC

Aglycone:
CC(C)CCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OC.NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 5
HBD: 8 FractionCSP3: 0.83
AlogP: -0.31 Num_rotatable_bonds: 30
MolWt: 1146.29 Num_heavy_atoms: 80
TPSA: 366.16 NumAromaticRings: 1

Unique Aglycone
AD00106
Formula: C4H4O2N2

Smiles:
O=c1cc[nH]c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.94 Num_rotatable_bonds: 0
MolWt: 112.09 Num_heavy_atoms: 8
TPSA: 65.72 NumAromaticRings: 1
AD22698
Formula: C31H54O10N2

Smiles:
CC(C)CCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O
HBA: 12 RingCount: 1
HBD: 3 FractionCSP3: 0.84
AlogP: 3.48 Num_rotatable_bonds: 21
MolWt: 614.78 Num_heavy_atoms: 43
TPSA: 170.98 NumAromaticRings: 0

Sugarmoiety
SD01773

COC1C(C)OC(O)C(OC)C1OC.NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O