Glycoside
GD115744
Name:
Isorhamnetin 3-(6''-Galloylglucoside)Formula:
C29H26O16Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.24 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 7 |
| MolWt: | 630.51 | Num_heavy_atoms: | 45 |
| TPSA: | 266.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD01682
Formula: C16H12O7
Smiles:
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.06 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 316.26 | Num_heavy_atoms: | 23 |
| TPSA: | 120.36 | NumAromaticRings: | 3 |
