Glycoside
GD007680
Name:
SAGITTINE CFormula:
C27H42O6Smiles:
C=C[C@@]1(C)CC[C@@]2(C)[C@@H]3CCC[C@@](C)(CO[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H]4O)C3=CC[C@@H]2C1Aglycone:
C=CC1(C)CCC2(C)C(CC=C3C2CCCC3(C)CO)C1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.81 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.63 | Num_heavy_atoms: | 33 |
| TPSA: | 85.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD04947
Formula: C20H32O
Smiles:
C=CC1(C)CCC2(C)C(CC=C3C2CCCC3(C)CO)C1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.47 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
