Glycoside
GD134243
Name:
7-O-Demethylcelesticetin CFormula:
C23H35O8N3SSmiles:
CC(O)C(N=C(O)C1CCCN1C)C1OC(SCCOC(=O)c2ccccc2N)C(O)C(O)C1OAglycone:
CC(O)CN=C(O)C1CCCN1C.Nc1ccccc1C(=O)OCCSSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.65 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 513.61 | Num_heavy_atoms: | 35 |
| TPSA: | 178.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD54310
Formula: C9H18O2N2
Smiles:
CC(O)CN=C(O)C1CCCN1C| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 186.25 | Num_heavy_atoms: | 13 |
| TPSA: | 56.06 | NumAromaticRings: | 0 |
AD54311
Formula: C9H11O2NS
Smiles:
Nc1ccccc1C(=O)OCCS| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 197.26 | Num_heavy_atoms: | 13 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
