Glycoside
GD007241
Name:
CALACTINICACID METHYL ESTERFormula:
C30H42O10Smiles:
COC(=O)[C@]1(O)C[C@H](C)O[C@H]1O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]34O)[C@@]2(C=O)C[C@H]1OAglycone:
CC12CCC3C(CCC4CC(O)C(O)CC43C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC(=O)C1(O)CC(C)OC1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 562.66 | Num_heavy_atoms: | 40 |
| TPSA: | 148.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD05910
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4CC(O)C(O)CC43C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
