Glycoside
...
GD026511

Name:
None

Formula:
C41H66O13N8

Smiles:
CCCCCCCCCCCCCCC[C@H](NC(=O)c1ccnnc1)C(=O)NCCCN[C@H](C(=O)O)[C@H](O[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O

Aglycone:
CCCCCCCCCCCCCCCC(NC(=O)c1ccnnc1)C(=O)NCCCNC(CO)C(=O)O.O=c1cc[nH]c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 21 RingCount: 4
HBD: 11 FractionCSP3: 0.73
AlogP: -0.43 Num_rotatable_bonds: 29
MolWt: 879.02 Num_heavy_atoms: 62
TPSA: 322.8 NumAromaticRings: 2

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
AD17467
Formula: C28H49O5N5

Smiles:
CCCCCCCCCCCCCCCC(NC(=O)c1ccnnc1)C(=O)NCCCNC(CO)C(=O)O
HBA: 10 RingCount: 1
HBD: 5 FractionCSP3: 0.75
AlogP: 3.6 Num_rotatable_bonds: 24
MolWt: 535.73 Num_heavy_atoms: 38
TPSA: 153.54 NumAromaticRings: 1

Sugarmoiety
SD00045

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