Glycoside
GD149186
Name:
(5a-methyl-3-methylidene-2-oxo-6-{[3,4,5-trihydroxy-6-({[2-(4-hydroxyphenyl)acetyl]oxy}methyl)oxan-2-yl]oxy}-2H,3H,3aH,4H,5H,5aH,6H,7H,9aH,9bH-naphtho[1,2-b]furan-9-yl)methyl 2-(4-hydroxyphenyl)acetateFormula:
C37H42O13Smiles:
C=C1C(=O)OC2C1CCC1(C)C(OC3OC(COC(=O)Cc4ccc(O)cc4)C(O)C(O)C3O)CC=C(COC(=O)Cc3ccc(O)cc3)C21Aglycone:
C=C1C(=O)OC2C1CCC1(C)C(O)CC=C(COC(=O)Cc3ccc(O)cc3)C21.COC(=O)Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.49 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 10 |
| MolWt: | 694.73 | Num_heavy_atoms: | 50 |
| TPSA: | 198.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD02427
Formula: C9H10O3
Smiles:
COC(=O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 166.18 | Num_heavy_atoms: | 12 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD59657
Formula: C23H26O6
Smiles:
C=C1C(=O)OC2C1CCC1(C)C(O)CC=C(COC(=O)Cc3ccc(O)cc3)C21| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 2.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 398.46 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
