Glycoside
GD154207
Name:
{3,4,5-trihydroxy-6-[(2-hydroxy-3-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-1,4-bis(hydroxymethyl)cyclopentyl)oxy]oxan-2-yl}methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C33H40O16Smiles:
COc1cc(C=CC(=O)OCC2OC(OC3(CO)CC(CO)C(OC(=O)C=Cc4ccc(O)c(OC)c4)C3O)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COc1cc(C=CC(=O)OC2C(CO)CC(O)(CO)C2O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 692.67 | Num_heavy_atoms: | 49 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00132
Formula: C11H12O4
Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD55614
Formula: C17H22O8
Smiles:
COc1cc(C=CC(=O)OC2C(CO)CC(O)(CO)C2O)ccc1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.36 | Num_heavy_atoms: | 25 |
| TPSA: | 136.68 | NumAromaticRings: | 1 |
