Glycoside
GD119938
Name:
{3,4,5-trihydroxy-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-9H-xanthen-9-yl]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C29H28O12Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(C2c3cc(CO)cc(O)c3Oc3c(O)ccc(O)c32)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.OCc1cc(O)c2c(c1)Cc1c(O)ccc(O)c1O2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.28 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 568.53 | Num_heavy_atoms: | 41 |
| TPSA: | 206.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD45548
Formula: C14H12O5
Smiles:
OCc1cc(O)c2c(c1)Cc1c(O)ccc(O)c1O2| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 90.15 | NumAromaticRings: | 2 |
