Glycoside
...
GD013272

Name:
None

Formula:
C57H73O18N7

Smiles:
CCCCCCCCCCCC(=O)NC1C(Oc2c(Oc3ccc([N+](=O)[O-])cc3)cc3cc2Oc2ccc(cc2[N+](=O)[O-])C[C@H](NC(=O)[C@H](N)CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]3[C@H](O)C(=O)O)OC(CO)C(O)C1O

Aglycone:
CC(C)CC(N)C(=O)NC1Cc2ccc(c([N+](=O)[O-])c2)Oc2cc(cc(Oc3ccc([N+](=O)[O-])cc3)c2O)C(C(O)C(=O)O)NC(=O)C(Cc2ccccc2)NC1=O.CCCCCCCCCCCC(N)=O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 7
HBD: 11 FractionCSP3: 0.49
AlogP: 5.06 Num_rotatable_bonds: 26
MolWt: 1144.24 Num_heavy_atoms: 82
TPSA: 383.84 NumAromaticRings: 4

Unique Aglycone
AD00189
Formula: C12H25ON

Smiles:
CCCCCCCCCCCC(N)=O
HBA: 2 RingCount: 0
HBD: 2 FractionCSP3: 0.92
AlogP: 3.39 Num_rotatable_bonds: 10
MolWt: 199.34 Num_heavy_atoms: 14
TPSA: 43.09 NumAromaticRings: 0
AD09925
Formula: C39H40O13N6

Smiles:
CC(C)CC(N)C(=O)NC1Cc2ccc(c([N+](=O)[O-])c2)Oc2cc(cc(Oc3ccc([N+](=O)[O-])cc3)c2O)C(C(O)C(=O)O)NC(=O)C(Cc2ccccc2)NC1=O
HBA: 19 RingCount: 6
HBD: 8 FractionCSP3: 0.28
AlogP: 3.54 Num_rotatable_bonds: 12
MolWt: 800.78 Num_heavy_atoms: 58
TPSA: 295.82 NumAromaticRings: 4

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O