Glycoside
...
GD002128

Name:
None

Formula:
C41H56O14N8

Smiles:
CC(=O)N[C@H]1[C@H](O[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)N[C@H](CCCCNC(=O)C=Cc2cccc([N+](=O)[O-])c2)C(N)=O)C(N)=O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(N)=O)C(N)=O.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 11 FractionCSP3: 0.49
AlogP: -1.31 Num_rotatable_bonds: 25
MolWt: 884.94 Num_heavy_atoms: 63
TPSA: 342.97 NumAromaticRings: 2

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
AD02061
Formula: C26H37O9N7

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)C=Cc1cccc([N+](=O)[O-])c1)C(N)=O)C(N)=O
HBA: 16 RingCount: 1
HBD: 9 FractionCSP3: 0.46
AlogP: -1.5 Num_rotatable_bonds: 18
MolWt: 591.62 Num_heavy_atoms: 42
TPSA: 265.95 NumAromaticRings: 1

Sugarmoiety
SD00014

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