Glycoside
GD135262
Name:
(3,4,5-trihydroxy-6-{[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-3-yl]methoxy}oxan-2-yl)methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C34H40O15Smiles:
COc1cc(C2Oc3c(O)cc(CCCO)cc3C2COC2OC(COC(=O)c3cc(OC)c(O)c(OC)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 13 |
| MolWt: | 688.68 | Num_heavy_atoms: | 49 |
| TPSA: | 223.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD01816
Formula: C19H22O6
Smiles:
COc1cc(C2Oc3c(O)cc(CCCO)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.37 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 99.38 | NumAromaticRings: | 2 |
