Glycoside
...
GD114605

Name:
None

Formula:
C39H45O14N4

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(CCC(=O)CC3)C21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC3(CCC(=O)CC3)C21.NC([NH3+])COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 9 FractionCSP3: 0.49
AlogP: -0.04 Num_rotatable_bonds: 11
MolWt: 793.8 Num_heavy_atoms: 57
TPSA: 266.0 NumAromaticRings: 2

Unique Aglycone
AD45158
Formula: C29H28O6N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OC3(CCC(=O)CC3)C21
HBA: 8 RingCount: 7
HBD: 1 FractionCSP3: 0.38
AlogP: 4.57 Num_rotatable_bonds: 4
MolWt: 500.55 Num_heavy_atoms: 37
TPSA: 89.82 NumAromaticRings: 2
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

Sugarmoiety
SD00017

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