Glycoside
...
GD142189

Name:
None

Formula:
C45H47O15N4

Smiles:
NC([NH3+])C(OC(=O)CC(=O)O)C1OC(Oc2cc(CN3CC4=CC=NC4=C3CO)c3c(c2)OC2C(c4ccccc4)C#CCCOc4c(OCO)ccc5c4OC3C52)C(O)C(O)C1O

Aglycone:
NC([NH3+])COC(=O)CC(=O)O.OCOc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(CN5CC6=CC=NC6=C5CO)c4C(O3)C21

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

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 11 FractionCSP3: 0.4
AlogP: -0.31 Num_rotatable_bonds: 13
MolWt: 883.88 Num_heavy_atoms: 64
TPSA: 289.39 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
AD57228
Formula: C35H30O7N2

Smiles:
OCOc1ccc2c3c1OCCC#CC(c1ccccc1)C1Oc4cc(O)cc(CN5CC6=CC=NC6=C5CO)c4C(O3)C21
HBA: 9 RingCount: 8
HBD: 3 FractionCSP3: 0.29
AlogP: 4.3 Num_rotatable_bonds: 6
MolWt: 590.63 Num_heavy_atoms: 44
TPSA: 113.21 NumAromaticRings: 3

Sugarmoiety
SD00017

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