Glycoside
GD156702
Name:
Dapriamicin AFormula:
C21H29O10N5Smiles:
COc1nc(NC2OC(C)C(OC3OC(CO)C(OC)C(O)C3O)C(O)C2O)nc2[nH]cc(C#N)c12Aglycone:
COc1nc(N)nc2[nH]cc(C#N)c12Sugarmoiety:
COC1C(CO)OC(OC2C(C)OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -2.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 511.49 | Num_heavy_atoms: | 36 |
| TPSA: | 224.69 | 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 |
