Glycoside
GD156689
Name:
[4,5-bis({[2-(3,4-dihydroxyphenyl)acetyl]oxy})-3,4-dihydroxy-6-{[4-hydroxy-2-(hydroxymethyl)but-2-en-1-yl]oxy}oxan-2-yl]methyl 2-(3,4-dihydroxyphenyl)acetateFormula:
C35H38O18Smiles:
O=C(Cc1ccc(O)c(O)c1)OCC1OC(OCC(=CCO)CO)C(OC(=O)Cc2ccc(O)c(O)c2)C(O)(OC(=O)Cc2ccc(O)c(O)c2)C1OAglycone:
COC(=O)Cc1ccc(O)c(O)c1.O=C(O)Cc1ccc(O)c(O)c1.O=C(O)Cc1ccc(O)c(O)c1.OCC=C(CO)COSugarmoiety:
OC1OC(O)C(O)C(O)(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.34 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 15 |
| MolWt: | 746.67 | Num_heavy_atoms: | 53 |
| TPSA: | 299.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD00758
Formula: C8H8O4
Smiles:
O=C(O)Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD21642
Formula: C9H10O4
Smiles:
COC(=O)Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.18 | Num_heavy_atoms: | 13 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD47503
Formula: C5H10O3
Smiles:
OCC=C(CO)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
