Glycoside
GD150599
Name:
1-(2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3-{2',4',5,6-tetrahydroxy-3'-[3-(4-hydroxyphenyl)propanoyl]-6'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl}propan-1-oneFormula:
C42H46O21Smiles:
O=C(CCc1cc(O)c(O)c(-c2c(OC3OC(CO)C(O)C(O)C3O)cc(O)c(C(=O)CCc3ccc(O)cc3)c2O)c1)c1c(O)cc(O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(CCc1cc(O)c(O)c(-c2c(O)cc(O)c(C(=O)CCc3ccc(O)cc3)c2O)c1)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 6 |
| HBD: | 15 | FractionCSP3: | 0.38 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 15 |
| MolWt: | 886.81 | Num_heavy_atoms: | 63 |
| TPSA: | 374.51 | NumAromaticRings: | 4 |
Unique Aglycone
AD60139
Formula: C30H26O11
Smiles:
O=C(CCc1cc(O)c(O)c(-c2c(O)cc(O)c(C(=O)CCc3ccc(O)cc3)c2O)c1)c1c(O)cc(O)cc1O| HBA: | 11 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.13 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 562.53 | Num_heavy_atoms: | 41 |
| TPSA: | 216.21 | NumAromaticRings: | 4 |
