Glycoside
GD143166
Name:
Urdamycin N1Formula:
C38H46O14Smiles:
COc1cc2c(c3c1CC(C)(O)CC3=O)C(=O)c1ccc(C3CC(OC4CCC(OC5CC(O)C(O)C(C)O5)C(C)O4)C(O)C(C)O3)c(O)c1C2=OAglycone:
COc1cc2c(c3c1CC(C)(O)CC3=O)C(=O)c1ccc(C3CC(OC4CCC(O)C(C)O4)C(O)C(C)O3)c(O)c1C2=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 726.77 | Num_heavy_atoms: | 52 |
| TPSA: | 207.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD57590
Formula: C32H36O11
Smiles:
COc1cc2c(c3c1CC(C)(O)CC3=O)C(=O)c1ccc(C3CC(OC4CCC(O)C(C)O4)C(O)C(C)O3)c(O)c1C2=O| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 4 |
| MolWt: | 596.63 | Num_heavy_atoms: | 43 |
| TPSA: | 169.05 | NumAromaticRings: | 2 |
