Glycoside
GD117393
Name:
NoneFormula:
C48H79O15NSmiles:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2N=C(C)O)C(C)(C)C1CC3)C(C)(C)CAglycone:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)(C)CSugarmoiety:
CC(O)=NC1C(OC2C(O)OC(CO)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.9 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 13 |
| MolWt: | 910.15 | Num_heavy_atoms: | 64 |
| TPSA: | 254.49 | NumAromaticRings: | 0 |
Unique Aglycone
AD46797
Formula: C34H56O5
Smiles:
CC(=O)OC(C)(CCC(C)C1CCC2(C(=O)O)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(C)(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 7.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 544.82 | Num_heavy_atoms: | 39 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
