Glycoside
...
GD133371

Name:
None

Formula:
C42H47O14N4

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5N=CC=C5C4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C4O)cc3OC(Cc3ccccc3)C21

Aglycone:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC(Cc3ccccc3)C21.NC([NH3+])COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 10 FractionCSP3: 0.4
AlogP: 0.05 Num_rotatable_bonds: 15
MolWt: 831.85 Num_heavy_atoms: 60
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
AD53986
Formula: C32H30O6N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC(Cc3ccccc3)C21
HBA: 8 RingCount: 7
HBD: 2 FractionCSP3: 0.28
AlogP: 4.66 Num_rotatable_bonds: 8
MolWt: 538.6 Num_heavy_atoms: 40
TPSA: 92.98 NumAromaticRings: 3

Sugarmoiety
SD00017

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