Glycoside
GD136326
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,9-dimethyl-14-methylidene-13-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}tetracyclo[11.2.1.0¹,¹â°.0â´,â¹]hexadecane-5-carboxylateFormula:
C41H56O15Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(COC(=O)C=Cc2ccc(O)cc2)C(O)C(O)C1O)C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 788.88 | Num_heavy_atoms: | 56 |
| TPSA: | 242.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD00064
Formula: C20H30O3
Smiles:
C=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 318.46 | Num_heavy_atoms: | 23 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
