Glycoside
...
GD002650

Name:
None

Formula:
C42H53O13N7

Smiles:
CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC(C)C(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)OCCCNC1c2ccccc2Nc2cccc([N+](=O)[O-])c21)C(N)=O

Aglycone:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCCCNC1c2ccccc2Nc2cccc([N+](=O)[O-])c21)C(N)=O.OCc1ccccc1

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

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 9 FractionCSP3: 0.45
AlogP: 1.09 Num_rotatable_bonds: 21
MolWt: 863.92 Num_heavy_atoms: 62
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
AD02501
Formula: C27H34O8N6

Smiles:
CC(O)C(=O)NC(C)C(=O)NC(CCC(=O)OCCCNC1c2ccccc2Nc2cccc([N+](=O)[O-])c21)C(N)=O
HBA: 14 RingCount: 3
HBD: 7 FractionCSP3: 0.41
AlogP: 0.9 Num_rotatable_bonds: 14
MolWt: 570.6 Num_heavy_atoms: 41
TPSA: 215.02 NumAromaticRings: 2

Sugarmoiety
SD00014

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