Glycoside
...
GD000745

Name:
None

Formula:
C43H55O13N7

Smiles:
CCC(COC(=O)CC[C@H](NC(=O)[C@H](C)NC(=O)C(C)OC1C(O)C(CO)OC(OCc2ccccc2)C1NC(C)=O)C(N)=O)NC1c2ccccc2Nc2cccc([N+](=O)[O-])c21

Aglycone:
CCC(COC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O)C(N)=O)NC1c2ccccc2Nc2cccc([N+](=O)[O-])c21.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 9 FractionCSP3: 0.47
AlogP: 1.48 Num_rotatable_bonds: 21
MolWt: 877.95 Num_heavy_atoms: 63
TPSA: 292.04 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
AD00794
Formula: C28H36O8N6

Smiles:
CCC(COC(=O)CCC(NC(=O)C(C)NC(=O)C(C)O)C(N)=O)NC1c2ccccc2Nc2cccc([N+](=O)[O-])c21
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.43
AlogP: 1.29 Num_rotatable_bonds: 14
MolWt: 584.63 Num_heavy_atoms: 42
TPSA: 215.02 NumAromaticRings: 2

Sugarmoiety
SD00014

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