Glycoside
...
GD120667

Name:
None

Formula:
C45H47O14N4

Smiles:
COc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(OC5OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C5O)cc(CN5CC6=CC=NC6=C5CO)c4C(O3)C21

Aglycone:
COc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(CN5CC6=CC=NC6=C5CO)c4C(O3)C21.NC([NH3+])COC(=O)CC(=O)O

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 9
HBD: 10 FractionCSP3: 0.4
AlogP: 0.37 Num_rotatable_bonds: 12
MolWt: 867.88 Num_heavy_atoms: 63
TPSA: 269.16 NumAromaticRings: 3

Unique Aglycone
AD45159
Formula: C5H11O4N2

Smiles:
NC([NH3+])COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 6 FractionCSP3: 0.6
AlogP: -2.47 Num_rotatable_bonds: 4
MolWt: 163.15 Num_heavy_atoms: 11
TPSA: 117.26 NumAromaticRings: 0
AD48500
Formula: C35H30O6N2

Smiles:
COc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(CN5CC6=CC=NC6=C5CO)c4C(O3)C21
HBA: 8 RingCount: 8
HBD: 2 FractionCSP3: 0.29
AlogP: 4.98 Num_rotatable_bonds: 5
MolWt: 574.63 Num_heavy_atoms: 43
TPSA: 92.98 NumAromaticRings: 3

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O