Glycoside
GD119715
Name:
Phelasin AFormula:
C42H66O15Smiles:
CC1(C)C=C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C(=O)O)CCC2(C(=O)O)CC1Aglycone:
CC1(C)C=C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C(=O)O)CCC2(C(=O)O)CC1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.9 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 8 |
| MolWt: | 810.97 | Num_heavy_atoms: | 57 |
| TPSA: | 253.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD48018
Formula: C30H46O5
Smiles:
CC1(C)C=C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C(=O)O)CCC2(C(=O)O)CC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 6.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.69 | Num_heavy_atoms: | 35 |
| TPSA: | 94.83 | NumAromaticRings: | 0 |
