Glycoside
...
GD023016

Name:
None

Formula:
C39H56O14N10

Smiles:
CC(=O)N[C@H]1[C@H](OCC(=O)N[C@H](C(=O)N[C@H](CCC(=O)NCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(N)=O)C(C)C)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1

Aglycone:
CC(C)C(NC(=O)CO)C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=C[N]2)C(N)=O.OCc1ccccc1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 5
HBD: 12 FractionCSP3: 0.59
AlogP: -3.96 Num_rotatable_bonds: 22
MolWt: 888.93 Num_heavy_atoms: 63
TPSA: 353.19 NumAromaticRings: 3

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD15528
Formula: C19H28O5N9

Smiles:
CC(C)C(NC(=O)CO)C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=C[N]2)C(N)=O
HBA: 14 RingCount: 2
HBD: 7 FractionCSP3: 0.53
AlogP: -2.2 Num_rotatable_bonds: 13
MolWt: 462.49 Num_heavy_atoms: 33
TPSA: 214.89 NumAromaticRings: 1

Sugarmoiety
SD00891

CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C1O