Glycoside
GD137535
Name:
7-hydroxy-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-5-yl 3-methoxy-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]benzoateFormula:
C29H40O16Smiles:
COc1cc(C(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23)ccc1OC1OC(C)C(O)C(O)C1OAglycone:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)ccc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.69 |
| AlogP: | -2.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 644.62 | Num_heavy_atoms: | 45 |
| TPSA: | 243.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD11752
Formula: C17H20O7
Smiles:
COc1cc(C(=O)OC2CC(C)(O)C3C(O)OC=CC23)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 105.45 | NumAromaticRings: | 1 |
