Glycoside
GD143359
Name:
Amidepsine IFormula:
C36H39O17NSmiles:
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(O)=NC(C)C(=O)O)c(O)c3)c(OC3OC(CO)C(O)C(O)C3OC(C)=O)c2)c(O)c1Aglycone:
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(O)=NC(C)C(=O)O)c(O)c3)c(O)c2)c(O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 12 |
| MolWt: | 757.7 | Num_heavy_atoms: | 54 |
| TPSA: | 277.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD47218
Formula: C28H27O11N
Smiles:
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(O)=NC(C)C(=O)O)c(O)c3)c(O)c2)c(O)c1| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 553.52 | Num_heavy_atoms: | 40 |
| TPSA: | 192.41 | NumAromaticRings: | 3 |
