Glycoside
...
GD136097

Name:
None

Formula:
C34H38O13N4

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

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

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 8 FractionCSP3: 0.44
AlogP: -0.2 Num_rotatable_bonds: 11
MolWt: 710.69 Num_heavy_atoms: 51
TPSA: 247.31 NumAromaticRings: 2

Unique Aglycone
AD45165
Formula: C5H10O4N2

Smiles:
NC(N)COC(=O)CC(=O)O
HBA: 6 RingCount: 0
HBD: 5 FractionCSP3: 0.6
AlogP: -1.75 Num_rotatable_bonds: 4
MolWt: 162.14 Num_heavy_atoms: 11
TPSA: 115.64 NumAromaticRings: 0
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

Sugarmoiety
SD00017

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