Glycoside
...
GD135253

Name:
None

Formula:
C35H37O14N3

Smiles:
COc1c(OCO)ccc2c1OC1c3c(cc(OC4OC(C(OC(=O)CC(=O)O)C(N)N)C(O)C(O)C4O)cc3C3=c4ccccc4=NC3)OCC21

Aglycone:
COc1c(OCO)ccc2c1OC1c3c(cc(O)cc3C3=c4ccccc4=NC3)OCC21.NC(N)COC(=O)CC(=O)O

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

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 9 FractionCSP3: 0.4
AlogP: -1.72 Num_rotatable_bonds: 11
MolWt: 723.69 Num_heavy_atoms: 52
TPSA: 264.3 NumAromaticRings: 3

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
AD54692
Formula: C25H21O6N

Smiles:
COc1c(OCO)ccc2c1OC1c3c(cc(O)cc3C3=c4ccccc4=NC3)OCC21
HBA: 7 RingCount: 6
HBD: 2 FractionCSP3: 0.24
AlogP: 2.17 Num_rotatable_bonds: 4
MolWt: 431.44 Num_heavy_atoms: 32
TPSA: 89.74 NumAromaticRings: 3

Sugarmoiety
SD00017

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