Glycoside
GD127012
Name:
Lanceotoxin AFormula:
C32H44O12Smiles:
CC(=O)OC12CCC3C(CCC4(C)C(c5ccc(=O)oc5)CCC34O)C1(C=O)CCC(OC(=O)C(O)C(O)C(O)C(C)O)C2Aglycone:
CC(=O)OC12CCCCC1(C=O)C1CCC3(C)C(c4ccc(=O)oc4)CCC3(O)C1CC2Sugarmoiety:
CC(O)C(O)C(O)C(O)C(=O)OOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 620.69 | Num_heavy_atoms: | 44 |
| TPSA: | 201.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD51413
Formula: C26H34O6
Smiles:
CC(=O)OC12CCCCC1(C=O)C1CCC3(C)C(c4ccc(=O)oc4)CCC3(O)C1CC2| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 442.55 | Num_heavy_atoms: | 32 |
| TPSA: | 93.81 | NumAromaticRings: | 1 |
