Glycoside
...
GD132244

Name:
None

Formula:
C44H45O13N4

Smiles:
COc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(OC5OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C5O)cc(CN5C=C6N=CC=C6C5)c4C(O3)C21

Aglycone:
COc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(CN5C=C6N=CC=C6C5)c4C(O3)C21.NC([NH3+])COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 9
HBD: 9 FractionCSP3: 0.39
AlogP: 1.01 Num_rotatable_bonds: 11
MolWt: 837.86 Num_heavy_atoms: 61
TPSA: 248.93 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
AD53533
Formula: C34H28O5N2

Smiles:
COc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(CN5C=C6N=CC=C6C5)c4C(O3)C21
HBA: 7 RingCount: 8
HBD: 1 FractionCSP3: 0.26
AlogP: 5.62 Num_rotatable_bonds: 4
MolWt: 544.61 Num_heavy_atoms: 41
TPSA: 72.75 NumAromaticRings: 3

Sugarmoiety
SD00017

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