Glycoside
GD156913
Name:
Urdamycin N5Formula:
C37H42O12Smiles:
Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc(C2CC(OC4CCC(OC5CC(O)C(O)C(C)O5)C(C)O4)C(O)C(C)O2)c1O)C3=OAglycone:
Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc(C2CC(OC4CCC(O)C(C)O4)C(O)C(C)O2)c1O)C3=OSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.51 |
| AlogP: | 3.7 | Num_rotatable_bonds: | 5 |
| MolWt: | 678.73 | Num_heavy_atoms: | 49 |
| TPSA: | 181.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD62087
Formula: C31H32O9
Smiles:
Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(ccc(C2CC(OC4CCC(O)C(C)O4)C(O)C(C)O2)c1O)C3=O| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | 3.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.59 | Num_heavy_atoms: | 40 |
| TPSA: | 142.75 | NumAromaticRings: | 3 |
