Glycoside
GD031351
Name:
NoneFormula:
C35H58O9Smiles:
COC[C@H](O)[C@@H]1O[C@H](O[C@@H]2CC3=C4[C@H](O)[C@H](O)[C@@H]5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@H](C)C=C[C@H](C)C(C)C)[C@H](O)[C@H]1OAglycone:
CC(C)C(C)C=CC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C.COCCOSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 622.84 | Num_heavy_atoms: | 44 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
AD10483
Formula: C28H46O4
Smiles:
CC(C)C(C)C=CC(C)C1C(O)CC2=C3C(O)C(O)C4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 446.67 | Num_heavy_atoms: | 32 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
