Glycoside
GD158040
Name:
6-{2-[2-(4-{2-[(5-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]ethyl}-2-hydroxyphenoxy)-4,5-dihydroxyphenyl]ethoxy}-5-hydroxy-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C58H70O30Smiles:
CC1OC(OC2C(O)C(OCCc3ccc(Oc4cc(O)c(O)cc4CCOC4OC(CO)C(OC(=O)C=Cc5ccc(O)c(O)c5)C(OC5OC(C)C(O)C(O)C5O)C4O)c(O)c3)OC(CO)C2OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=C(O)C=Cc1ccc(O)c(O)c1.OCCc1ccc(Oc2cc(O)c(O)cc2CCO)c(O)c1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O.CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 8 |
| HBD: | 17 | FractionCSP3: | 0.48 |
| AlogP: | -1.63 | Num_rotatable_bonds: | 22 |
| MolWt: | 1247.17 | Num_heavy_atoms: | 88 |
| TPSA: | 479.58 | 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 |
AD62412
Formula: C16H18O6
Smiles:
OCCc1ccc(Oc2cc(O)c(O)cc2CCO)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 306.31 | Num_heavy_atoms: | 22 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
