Glycoside
GD151153
Name:
3a-{[5-(acetyloxy)-6-[(acetyloxy)methyl]-3,4-dihydroxyoxan-2-yl]oxy}-3'-(4-hydroxyphenyl)-2,5'-dioxo-tetrahydro-2H-spiro[furo[3,2-b]furan-3,2'-oxolan]-6-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C34H34O17Smiles:
CC(=O)OCC1OC(OC23OCC(OC(=O)C=Cc4ccc(O)cc4)C2OC(=O)C32OC(=O)CC2c2ccc(O)cc2)C(O)C(O)C1OC(C)=OAglycone:
COC(C)=O.O=C(C=Cc1ccc(O)cc1)OC1COC2(O)C1OC(=O)C21OC(=O)CC1c1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 9 |
| MolWt: | 714.63 | Num_heavy_atoms: | 51 |
| TPSA: | 240.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD60309
Formula: C24H20O10
Smiles:
O=C(C=Cc1ccc(O)cc1)OC1COC2(O)C1OC(=O)C21OC(=O)CC1c1ccc(O)cc1| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 468.41 | Num_heavy_atoms: | 34 |
| TPSA: | 148.82 | NumAromaticRings: | 2 |
