Glycoside
GD007516
Name:
NoneFormula:
C45H64O15Smiles:
CCCC(=O)[C@H](C)C1CC2C(CC=C3C[C@H](O)CC[C@]32C)C2C[C@H](OC3OCC(O)C(OC4OCC(O)C(O)C4OC(=O)c4ccc(OC)cc4)C3OC(C)=O)[C@H](O)[C@]21CAglycone:
CCCC(=O)C(C)C1CC2C(CC=C3CC(O)CCC32C)C2CC(O)C(O)C12C.COc1ccc(C(=O)O)cc1Sugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 3.24 | Num_rotatable_bonds: | 12 |
| MolWt: | 844.99 | Num_heavy_atoms: | 60 |
| TPSA: | 216.97 | NumAromaticRings: | 1 |
Unique Aglycone
AD01329
Formula: C8H8O3
Smiles:
COc1ccc(C(=O)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD06112
Formula: C25H40O4
Smiles:
CCCC(=O)C(C)C1CC2C(CC=C3CC(O)CCC32C)C2CC(O)C(O)C12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 3.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 404.59 | Num_heavy_atoms: | 29 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
