Glycoside
GD146234
Name:
Urdamycin N2Formula:
C38H44O13Smiles:
COc1cc2c(c3c(O)cc(C)cc13)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(c3c(O)cc(C)cc13)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: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 6 |
| MolWt: | 708.76 | Num_heavy_atoms: | 51 |
| TPSA: | 190.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD58651
Formula: C32H34O10
Smiles:
COc1cc2c(c3c(O)cc(C)cc13)C(=O)c1ccc(C3CC(OC4CCC(O)C(C)O4)C(O)C(C)O3)c(O)c1C2=O| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 3.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 578.61 | Num_heavy_atoms: | 42 |
| TPSA: | 151.98 | NumAromaticRings: | 3 |
