Glycoside
...
GD155289

Name:
None

Formula:
C36H37O12N4

Smiles:
CCc1c[n-]c(C(c2ccccc2)[C-]2C(=O)c3c(cc(OC4OC(C(=O)O)C(O)C(O)(CNC(N)=[NH2+])C4O)c(O)c3O)OC2c2ccc(O)cc2)c1

Aglycone:
CCc1c[n-]c(C(c2ccccc2)[C-]2C(=O)c3c(cc(O)c(O)c3O)OC2c2ccc(O)cc2)c1.CNC(N)=[NH2+]

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 12 FractionCSP3: 0.28
AlogP: -0.65 Num_rotatable_bonds: 10
MolWt: 717.71 Num_heavy_atoms: 52
TPSA: 281.18 NumAromaticRings: 4

Unique Aglycone
AD24284
Formula: C2H8N3

Smiles:
CNC(N)=[NH2+]
HBA: 3 RingCount: 0
HBD: 5 FractionCSP3: 0.5
AlogP: -2.72 Num_rotatable_bonds: 0
MolWt: 74.11 Num_heavy_atoms: 5
TPSA: 63.64 NumAromaticRings: 0
AD61606
Formula: C28H23O6N

Smiles:
CCc1c[n-]c(C(c2ccccc2)[C-]2C(=O)c3c(cc(O)c(O)c3O)OC2c2ccc(O)cc2)c1
HBA: 7 RingCount: 5
HBD: 4 FractionCSP3: 0.14
AlogP: 4.75 Num_rotatable_bonds: 5
MolWt: 469.49 Num_heavy_atoms: 35
TPSA: 121.32 NumAromaticRings: 4

Sugarmoiety
SD04479

O=C(O)C1OC(O)C(O)C(O)(O)C1O