Glycoside
GD153613
Name:
Herbacetin 8-(2'',3''-Diacetylxyloside)Formula:
C24H22O13Smiles:
CC(=O)OC1C(O)COC(Oc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)C1OC(C)=OAglycone:
O=c1c(O)c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 518.43 | Num_heavy_atoms: | 37 |
| TPSA: | 202.42 | 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 |
