Glycoside
GD000809
Name:
GOYAGLYCOSIDE CFormula:
C38H62O9Smiles:
COC1O[C@@]23C=C[C@@H]4[C@]1(CC[C@]1(C)[C@H]([C@H](C)CC=CC(C)(C)OC)CC[C@]41C)[C@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C3(C)CAglycone:
COC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)OC)CCC41C)C2CCC(O)C3(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 9 |
| MolWt: | 662.91 | Num_heavy_atoms: | 47 |
| TPSA: | 127.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD00848
Formula: C32H52O4
Smiles:
COC1OC23C=CC4C1(CCC1(C)C(C(C)CC=CC(C)(C)OC)CCC41C)C2CCC(O)C3(C)C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 6.92 | Num_rotatable_bonds: | 6 |
| MolWt: | 500.76 | Num_heavy_atoms: | 36 |
| TPSA: | 47.92 | NumAromaticRings: | 0 |
