Glycoside
GD146712
Name:
2-[(2-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C41H44O23Smiles:
CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4OC4OC(CO)C(O)C(OC(=O)C=Cc5ccc(O)c(O)c5)C4O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.41 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 11 |
| MolWt: | 904.78 | Num_heavy_atoms: | 64 |
| TPSA: | 374.88 | NumAromaticRings: | 4 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD00377
Formula: C15H10O7
Smiles:
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
