Glycoside
...
GD129883

Name:
None

Formula:
C34H39O14N4

Smiles:
COc1c(OCO)ccc2c1OC1c3c(CN4C=C5N=CC=C5C4)cc(OC4OC(C(OC(=O)CC(=O)O)C(N)[NH3+])C(O)C(O)C4O)cc3OCC21

Aglycone:
COc1c(OCO)ccc2c1OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OCC21.NC([NH3+])COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 10 FractionCSP3: 0.44
AlogP: -1.6 Num_rotatable_bonds: 12
MolWt: 727.7 Num_heavy_atoms: 52
TPSA: 269.16 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
AD52620
Formula: C24H22O6N2

Smiles:
COc1c(OCO)ccc2c1OC1c3c(CN4C=C5N=CC=C5C4)cc(O)cc3OCC21
HBA: 8 RingCount: 6
HBD: 2 FractionCSP3: 0.29
AlogP: 3.01 Num_rotatable_bonds: 5
MolWt: 434.45 Num_heavy_atoms: 32
TPSA: 92.98 NumAromaticRings: 2

Sugarmoiety
SD00017

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