Glycoside
...
GD011703

Name:
None

Formula:
C27H42O11N6

Smiles:
CCCCCNC(=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:
CCCCCNC(=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: 0.7
AlogP: -4.09 Num_rotatable_bonds: 11
MolWt: 626.66 Num_heavy_atoms: 44
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
AD08912
Formula: C14H25O3N3

Smiles:
CCCCCNC(=O)C1=CCN(C)C(CO)C(=O)N1C
HBA: 6 RingCount: 1
HBD: 2 FractionCSP3: 0.71
AlogP: -0.06 Num_rotatable_bonds: 6
MolWt: 283.37 Num_heavy_atoms: 20
TPSA: 72.88 NumAromaticRings: 0

Sugarmoiety
SD00045

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