Glycoside
...
GD145909

Name:
None

Formula:
C43H49O15N4

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4CC5=CC=NC5=C4CO)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C4O)cc3OC(Cc3ccccc3)C21

Aglycone:
COc1ccc2c(c1OCCO)OC1c3c(CN4CC5=CC=NC5=C4CO)cc(O)cc3OC(Cc3ccccc3)C21.NC([NH3+])COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 11 FractionCSP3: 0.42
AlogP: -0.58 Num_rotatable_bonds: 16
MolWt: 861.88 Num_heavy_atoms: 62
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
AD58541
Formula: C33H32O7N2

Smiles:
COc1ccc2c(c1OCCO)OC1c3c(CN4CC5=CC=NC5=C4CO)cc(O)cc3OC(Cc3ccccc3)C21
HBA: 9 RingCount: 7
HBD: 3 FractionCSP3: 0.3
AlogP: 4.02 Num_rotatable_bonds: 9
MolWt: 568.63 Num_heavy_atoms: 42
TPSA: 113.21 NumAromaticRings: 3

Sugarmoiety
SD00017

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