Glycoside
GD128635
Name:
Amidepsine HFormula:
C37H41O17NSmiles:
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(OC)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(OC)c1Sugarmoiety:
CC(=O)OC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 13 |
| MolWt: | 771.73 | Num_heavy_atoms: | 55 |
| TPSA: | 266.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD52105
Formula: C29H29O11N
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(OC)c1| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 4.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 567.55 | Num_heavy_atoms: | 41 |
| TPSA: | 181.41 | NumAromaticRings: | 3 |
