Glycoside
GD139746
Name:
ethyl 3-[3-(2-hydroxy-6-methoxy-6-methylhept-4-en-2-yl)-6,9a,9b-trimethyl-7-(prop-1-en-2-yl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-dodecahydro-1H-cyclopenta[a]naphthalen-6-yl]propanoateFormula:
C39H66O9Smiles:
C=C(C)C1CCC2(C)C(CC(OC3OC(C)C(O)C(O)C3O)C3C(C(C)(O)CC=CC(C)(C)OC)CCC32C)C1(C)CCC(=O)OCCAglycone:
C=C(C)C1CCC2(C)C(CC(O)C3C(C(C)(O)CC=CC(C)(C)OC)CCC32C)C1(C)CCC(=O)OCCSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 5.72 | Num_rotatable_bonds: | 12 |
| MolWt: | 678.95 | Num_heavy_atoms: | 48 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD56352
Formula: C33H56O5
Smiles:
C=C(C)C1CCC2(C)C(CC(O)C3C(C(C)(O)CC=CC(C)(C)OC)CCC32C)C1(C)CCC(=O)OCC| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 6.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 532.81 | Num_heavy_atoms: | 38 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
