Glycoside
GD140485
Name:
procumbenoside cFormula:
C26H22O12Smiles:
O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1cc3c(cc1c2OC1OC(CO)C(O)C(O)C1O)OCO3Aglycone:
O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1cc3c(cc1c2O)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 526.45 | Num_heavy_atoms: | 38 |
| TPSA: | 162.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD56645
Formula: C20H12O7
Smiles:
O=C1OCc2c1c(-c1ccc3c(c1)OCO3)c1cc3c(cc1c2O)OCO3| HBA: | 7 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 364.31 | Num_heavy_atoms: | 27 |
| TPSA: | 83.45 | NumAromaticRings: | 3 |
