Glycoside
GD119449
Name:
(3,4,5-trihydroxy-6-{[4-hydroxy-3,6-bis(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]oxy}oxan-2-yl)methyl 2-(4-hydroxyphenyl)acetateFormula:
C34H38O15Smiles:
COc1cc(C2OC(OC3OC(COC(=O)Cc4ccc(O)cc4)C(O)C(O)C3O)C3C(c4ccc(O)c(OC)c4)OC(O)C23)ccc1OAglycone:
COC(=O)Cc1ccc(O)cc1.COc1cc(C2OC(O)C3C(c4ccc(O)c(OC)c4)OC(O)C23)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 686.66 | Num_heavy_atoms: | 49 |
| TPSA: | 223.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD02427
Formula: C9H10O3
Smiles:
COC(=O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD10837
Formula: C20H22O8
Smiles:
COc1cc(C2OC(O)C3C(c4ccc(O)c(OC)c4)OC(O)C23)ccc1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 117.84 | NumAromaticRings: | 2 |
