Glycoside
GD150208
Name:
CelesticetinFormula:
C24H36O9N2SSmiles:
COC(C)C(N=C(O)C1CCCN1C)C1OC(SCCOC(=O)c2ccccc2O)C(O)C(O)C1OAglycone:
COC(C)CN=C(O)C1CCCN1C.O=C(OCCS)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 10 |
| MolWt: | 528.62 | Num_heavy_atoms: | 36 |
| TPSA: | 161.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD44163
Formula: C9H10O3S
Smiles:
O=C(OCCS)c1ccccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.24 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD47172
Formula: C10H20O2N2
Smiles:
COC(C)CN=C(O)C1CCCN1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 200.28 | Num_heavy_atoms: | 14 |
| TPSA: | 45.06 | NumAromaticRings: | 0 |
