Glycoside
GD039772
Name:
u-58872, hydroxy derivative of nogalamycinFormula:
C39H49O17NSmiles:
COC(=O)[C@H]1c2cc3c(c(O)c2[C@H](O[C@H]2O[C@H](C)[C@@H](OC)[C@](C)(OC)[C@H]2OC)C[C@]1(C)O)C(=O)c1c(O)cc2c(c1C3=O)O[C@H]1O[C@]2(C)[C@H](O)[C@H](N(C)CO)[C@@H]1OAglycone:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)CO)C1OSugarmoiety:
COC1C(C)OC(O)C(OC)C1(C)OCOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 8 |
| MolWt: | 803.81 | Num_heavy_atoms: | 57 |
| TPSA: | 249.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD24531
Formula: C29H31O13N
Smiles:
COC(=O)C1c2cc3c(c(O)c2C(O)CC1(C)O)C(=O)c1c(O)cc2c(c1C3=O)OC1OC2(C)C(O)C(N(C)CO)C1O| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 601.56 | Num_heavy_atoms: | 43 |
| TPSA: | 223.75 | NumAromaticRings: | 2 |
