Glycoside
GD152735
Name:
5-[3-({4,5-dihydroxy-2-methyl-6-[(3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxy-3-methoxycyclohexyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydro-1-benzopyran-1-ium-3-ylidene]oxy}oxan-2-yl)methoxy]oxan-3-yl}oxy)-3-oxoprop-1-en-1-yl]-1,2-dihydroxycyclohexylFormula:
C43H50O23Smiles:
COc1cc(C2=C(OC3OC(COC4OC(C)C(OC(=O)C=Cc5ccc(O)c(O)c5)C(O)C4O)C(O)C(O)C3O)C=C3[C](C=C(O)C=C3OC3OC(CO)C(O)C(O)C3O)[OH+]2)ccc1OAglycone:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)ccc1O.O=C(O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.44 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 13 |
| MolWt: | 934.85 | Num_heavy_atoms: | 66 |
| TPSA: | 366.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD45539
Formula: C16H15O6
Smiles:
COc1cc(C2=C(O)C=C3C(O)=CC(O)=CC3[OH+]2)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.12 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 303.29 | Num_heavy_atoms: | 22 |
| TPSA: | 102.95 | NumAromaticRings: | 1 |
