Glycoside
GD146760
Name:
salviadelphinFormula:
C42H43O26Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc([OH2+])cc3c2C=C(OC2OC(COC(=O)C=Cc4ccc(O)c(O)c4)C(O)C(O)C2O)C(c2cc(O)c(O)c(O)c2)O3)C(O)C(O)C1OC(=O)CC(=O)OAglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)CC(=O)O.O=C(O)CC(=O)O.OC1=Cc2c(O)cc([OH2+])cc2OC1c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.36 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 16 |
| MolWt: | 963.78 | Num_heavy_atoms: | 68 |
| TPSA: | 424.85 | NumAromaticRings: | 3 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD13454
Formula: C3H4O4
Smiles:
O=C(O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.06 | Num_heavy_atoms: | 7 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD45257
Formula: C15H13O7
Smiles:
OC1=Cc2c(O)cc([OH2+])cc2OC1c1cc(O)c(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.07 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 305.26 | Num_heavy_atoms: | 22 |
| TPSA: | 133.28 | NumAromaticRings: | 2 |
