Glycoside
GD127482
Name:
Lanceotoxin BFormula:
C32H44O11Smiles:
CC(=O)OC12CCC3C(CCC4(C)C(c5ccc(=O)oc5)CCC34O)C1(C=O)CCC(OC1OC(C)C(O)C(O)C1O)C2Aglycone:
CC(=O)OC12CCC3C(CCC4(C)C(c5ccc(=O)oc5)CCC34O)C1(C=O)CCC(O)C2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.78 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 5 |
| MolWt: | 604.69 | Num_heavy_atoms: | 43 |
| TPSA: | 172.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD51627
Formula: C26H34O7
Smiles:
CC(=O)OC12CCC3C(CCC4(C)C(c5ccc(=O)oc5)CCC34O)C1(C=O)CCC(O)C2| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.55 | Num_heavy_atoms: | 33 |
| TPSA: | 114.04 | NumAromaticRings: | 1 |
