Glycoside
GD028883
Name:
2-[(7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-yl)methoxy]-5-(hydroxymethyl)oxolane-3,4-diolFormula:
C25H40O5Smiles:
C=C[C@@]1(C)CC[C@@H]2C(=CC[C@@H]3[C@](C)(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H]4O)CCC[C@]23C)C1Aglycone:
C=CC1(C)CCC2C(=CCC3C(C)(CO)CCCC23C)C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.59 | Num_heavy_atoms: | 30 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD18830
Formula: C20H32O
Smiles:
C=CC1(C)CCC2C(=CCC3C(C)(CO)CCCC23C)C1| HBA: | 1 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 288.48 | Num_heavy_atoms: | 21 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
