Glycoside
...
GD156480

Name:
None

Formula:
C34H37O13N3

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5C=CN=C5C4)cc(OC4OC(C(CN)OC(=O)CC(=O)O)C(O)C(O)C4O)cc3OCC21

Aglycone:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21.NCCOC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 6 FractionCSP3: 0.44
AlogP: 0.51 Num_rotatable_bonds: 11
MolWt: 695.68 Num_heavy_atoms: 50
TPSA: 221.29 NumAromaticRings: 2

Unique Aglycone
AD54505
Formula: C24H22O5N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(CN4C=C5C=CN=C5C4)cc(O)cc3OCC21
HBA: 7 RingCount: 6
HBD: 1 FractionCSP3: 0.29
AlogP: 3.69 Num_rotatable_bonds: 4
MolWt: 418.45 Num_heavy_atoms: 31
TPSA: 72.75 NumAromaticRings: 2
AD56104
Formula: C5H9O4N

Smiles:
NCCOC(=O)CC(=O)O
HBA: 5 RingCount: 0
HBD: 3 FractionCSP3: 0.6
AlogP: -1.04 Num_rotatable_bonds: 4
MolWt: 147.13 Num_heavy_atoms: 10
TPSA: 89.62 NumAromaticRings: 0

Sugarmoiety
SD00017

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