Glycoside
GD149193
Name:
methyl 5-hydroxy-7-(hydroxymethyl)-1-{[3,4,5-trihydroxy-6-({[3-(4-methoxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C27H32O13Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)C=Cc3ccc(OC)cc3)C(O)C(O)C2O)C2C(CO)=CC(O)C12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12.COC(=O)C=Cc1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 9 |
| MolWt: | 564.54 | Num_heavy_atoms: | 40 |
| TPSA: | 190.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD07800
Formula: C11H14O6
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.23 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
AD11989
Formula: C11H12O3
Smiles:
COC(=O)C=Cc1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
