Glycoside
GD156497
Name:
7-O-DimethylcelesticetinFormula:
C23H34O9N2SSmiles:
CC(O)C(N=C(O)C1CCCN1C)C1OC(SCCOC(=O)c2ccccc2O)C(O)C(O)C1OAglycone:
CC(O)CN=C(O)C1CCCN1C.O=C(OCCS)c1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 514.6 | Num_heavy_atoms: | 35 |
| TPSA: | 172.51 | 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 |
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 |
