Glycoside
GD154005
Name:
Acutanguloside D Methyl EsterFormula:
C62H86O22Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C(OC(=O)c6ccccc6)C(OC(=O)c6ccccc6)C5(CO)C(O)CC34C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OAglycone:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1Sugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 10 |
| HBD: | 10 | FractionCSP3: | 0.73 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 1183.35 | Num_heavy_atoms: | 84 |
| TPSA: | 336.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD56733
Formula: C44H58O7
Smiles:
CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C2(CO)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1| HBA: | 7 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 7.78 | Num_rotatable_bonds: | 5 |
| MolWt: | 698.94 | Num_heavy_atoms: | 51 |
| TPSA: | 113.29 | NumAromaticRings: | 2 |
