Glycoside
GD131358
Name:
Herbacetin 7-(6''-Quinoylglucoside)Formula:
C28H30O17Smiles:
O=C(OCC1OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc3c2O)C(O)C(O)C1O)C1(O)CC(O)C(O)C(O)C1Aglycone:
COC(=O)C1(O)CC(O)C(O)C(O)C1.O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.43 |
| AlogP: | -2.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 638.53 | Num_heavy_atoms: | 45 |
| TPSA: | 297.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD03890
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
AD53222
Formula: C8H14O6
Smiles:
COC(=O)C1(O)CC(O)C(O)C(O)C1| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.19 | Num_heavy_atoms: | 14 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
