Glycoside
...
GD030786

Name:
None

Formula:
C31H50O11N6

Smiles:
CCCCCCCCCNC(=O)C1=CCN(C)[C@H]([C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H]2O)[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)C(=O)N1C

Aglycone:
CCCCCCCCCNC(=O)C1=CCN(C)C(CO)C(=O)N1C.O=c1cc[nH]c(=O)[nH]1

Sugarmoiety:
NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 4
HBD: 8 FractionCSP3: 0.74
AlogP: -2.53 Num_rotatable_bonds: 15
MolWt: 682.77 Num_heavy_atoms: 48
TPSA: 242.14 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
AD19911
Formula: C18H33O3N3

Smiles:
CCCCCCCCCNC(=O)C1=CCN(C)C(CO)C(=O)N1C
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.78
AlogP: 1.5 Num_rotatable_bonds: 10
MolWt: 339.48 Num_heavy_atoms: 24
TPSA: 72.88 NumAromaticRings: 0

Sugarmoiety
SD00045

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O