Glycoside
...
GD036949

Name:
None

Formula:
C46H57O17N3

Smiles:
CCCC(=O)OC[C@@H]1O[C@H](OCc2cn([C@@H]3c4cc5c(cc4[C@H](c4cc(OC)c(O)c(OC)c4)[C@@H]4C(=O)OC[C@@H]43)OCO5)nn2)[C@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC

Aglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)OC.COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O

Sugarmoiety:
OCC1OC(O)C(O)C(O)O1

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 1 FractionCSP3: 0.59
AlogP: 4.97 Num_rotatable_bonds: 20
MolWt: 923.97 Num_heavy_atoms: 66
TPSA: 237.82 NumAromaticRings: 3

Unique Aglycone
AD00922
Formula: C4H8O2

Smiles:
CCCC(=O)O
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.75
AlogP: 0.87 Num_rotatable_bonds: 2
MolWt: 88.11 Num_heavy_atoms: 6
TPSA: 37.3 NumAromaticRings: 0
AD01168
Formula: C5H10O2

Smiles:
CCCC(=O)OC
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.96 Num_rotatable_bonds: 2
MolWt: 102.13 Num_heavy_atoms: 7
TPSA: 26.3 NumAromaticRings: 0
AD21120
Formula: C24H23O8N3

Smiles:
COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O
HBA: 11 RingCount: 6
HBD: 2 FractionCSP3: 0.38
AlogP: 1.75 Num_rotatable_bonds: 5
MolWt: 481.46 Num_heavy_atoms: 35
TPSA: 134.39 NumAromaticRings: 3

Sugarmoiety
SD01013

OCC1OC(O)C(O)C(O)O1