Glycoside
...
GD154809

Name:
None

Formula:
C33H35O14N4

Smiles:
COc1c(OC2OC(C(=O)O)C(O)(CC3=NC=NC3)C(O)C2O)cc2c(c1O)C(O)=CC(c1ccc(OC(CO)C(O)C3=NC(N)=C[CH+]3)cc1)O2

Aglycone:
CC1=NC=NC1.COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OC(CO)C(O)C3=NC(N)=C[CH+]3)cc1)O2

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1(O)O

Other Identifiers

Properties
HBA: 18 RingCount: 6
HBD: 10 FractionCSP3: 0.36
AlogP: -0.49 Num_rotatable_bonds: 12
MolWt: 711.66 Num_heavy_atoms: 51
TPSA: 288.16 NumAromaticRings: 2

Unique Aglycone
AD44952
Formula: C4H6N2

Smiles:
CC1=NC=NC1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.5
AlogP: 0.49 Num_rotatable_bonds: 0
MolWt: 82.11 Num_heavy_atoms: 6
TPSA: 24.72 NumAromaticRings: 0
AD61458
Formula: C23H23O8N2

Smiles:
COc1c(O)cc2c(c1O)C(O)=CC(c1ccc(OC(CO)C(O)C3=NC(N)=C[CH+]3)cc1)O2
HBA: 10 RingCount: 4
HBD: 7 FractionCSP3: 0.22
AlogP: 1.7 Num_rotatable_bonds: 7
MolWt: 455.44 Num_heavy_atoms: 33
TPSA: 167.22 NumAromaticRings: 2

Sugarmoiety
SD04330

O=C(O)C1OC(O)C(O)C(O)C1(O)O