Glycoside
GD154217
Name:
Cryptostigmin IiiFormula:
C38H58O15Smiles:
CCC(=O)OC1CC2(O)C3CCC4CC(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Aglycone:
CCC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 754.87 | Num_heavy_atoms: | 53 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD61284
Formula: C26H38O6
Smiles:
CCC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 446.58 | Num_heavy_atoms: | 32 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
