Glycoside
GD154307
Name:
6-[(7,17-diethenyl-2,12-dioxo-18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9,13,19-tetraoxatricyclo[14.4.0.0â¶,¹¹]icosa-1(20),10-dien-8-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C41H50O20Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OCCC3C(=COC(OC4OC(CO)C(OC(=O)C=Cc5ccc(O)cc5)C(O)C4O)C3C=C)C(=O)OCCC21Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC3C(=COC(O)C3C=C)C(=O)OCCC21.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 11 |
| MolWt: | 862.83 | Num_heavy_atoms: | 61 |
| TPSA: | 296.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD57838
Formula: C20H24O8
Smiles:
C=CC1C(O)OC=C2C(=O)OCCC3C(=COC(O)C3C=C)C(=O)OCCC21| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 392.4 | Num_heavy_atoms: | 28 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
