Glycoside
...
GD118656

Name:
Dapriamicin B

Formula:
C21H29O11N5

Smiles:
COc1nc(NC2OC(CO)C(OC3OC(CO)C(OC)C(O)C3O)C(O)C2O)nc2[nH]cc(C#N)c12

Aglycone:
COc1nc(N)nc2[nH]cc(C#N)c12

Sugarmoiety:
COC1C(CO)OC(OC2C(CO)OC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 4
HBD: 8 FractionCSP3: 0.67
AlogP: -3.47 Num_rotatable_bonds: 8
MolWt: 527.49 Num_heavy_atoms: 37
TPSA: 244.92 NumAromaticRings: 2

Unique Aglycone
AD47467
Formula: C8H7ON5

Smiles:
COc1nc(N)nc2[nH]cc(C#N)c12
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.12
AlogP: 0.42 Num_rotatable_bonds: 1
MolWt: 189.18 Num_heavy_atoms: 14
TPSA: 100.61 NumAromaticRings: 2

Sugarmoiety
SD01785

COC1C(CO)OC(OC2C(CO)OC(O)C(O)C2O)C(O)C1O