Glycoside
GD135302
Name:
7-Hydroxy-5,6,6'-Trimethoxy-3',4'-Methylenedioxyisoflavone 7-O-(2''-P-Coumaroylglucoside)Formula:
C34H32O15Smiles:
COc1cc2c(cc1-c1coc3cc(OC4OC(CO)C(O)C(O)C4OC(=O)C=Cc4ccc(O)cc4)c(OC)c(OC)c3c1=O)OCO2Aglycone:
COc1cc2c(cc1-c1coc3cc(O)c(OC)c(OC)c3c1=O)OCO2.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 10 |
| MolWt: | 680.62 | Num_heavy_atoms: | 49 |
| TPSA: | 202.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD54715
Formula: C19H16O8
Smiles:
COc1cc2c(cc1-c1coc3cc(O)c(OC)c(OC)c3c1=O)OCO2| HBA: | 8 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 96.59 | NumAromaticRings: | 3 |
