Glycoside
GD157706
Name:
Urdamycin HFormula:
C50H68O18Smiles:
CC1OC(OC23C(=O)CC(C)(O)CC2(O)C=CC2C3=C3OC(=C4C=CC(=O)C=C4)C4CC(C5CC(OC6CCC(OC7CC(O)C(O)C(C)O7)C(C)O6)C(O)C(C)O5)C(O)C(C2O)C34)CCC1OAglycone:
CC1OC(OC2CC(C3CC4C(=C5C=CC(=O)C=C5)OC5=C6C(C=CC7(O)CC(C)(O)CC(=O)C67OC6CCC(O)C(C)O6)C(O)C(C3O)C54)OC(C)C2O)CCC1OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 10 |
| HBD: | 8 | FractionCSP3: | 0.76 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 957.08 | Num_heavy_atoms: | 68 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD62328
Formula: C44H58O15
Smiles:
CC1OC(OC2CC(C3CC4C(=C5C=CC(=O)C=C5)OC5=C6C(C=CC7(O)CC(C)(O)CC(=O)C67OC6CCC(O)C(C)O6)C(O)C(C3O)C54)OC(C)C2O)CCC1O| HBA: | 15 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 826.93 | Num_heavy_atoms: | 59 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
