Glycoside
...
GD146077

Name:
None

Formula:
C39H47O13N4

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C4O)cc3OC3(CCCCC3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC3(CCCCC3)C21.NC([NH3+])COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 9 FractionCSP3: 0.51
AlogP: 0.78 Num_rotatable_bonds: 11
MolWt: 779.82 Num_heavy_atoms: 56
TPSA: 248.93 NumAromaticRings: 2

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
AD58598
Formula: C29H30O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC3(CCCCC3)C21
HBA: 7 RingCount: 7
HBD: 1 FractionCSP3: 0.41
AlogP: 5.39 Num_rotatable_bonds: 4
MolWt: 486.57 Num_heavy_atoms: 36
TPSA: 72.75 NumAromaticRings: 2

Sugarmoiety
SD00017

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