Glycoside
GD022068
Name:
3-(3a,3b,6,6,9a-pentamethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-5-(2-methylprop-1-en-1-yl)-2,5-dihydrofuran-2-oneFormula:
C36H56O8Smiles:
CC(C)=C[C@@H]1C=C([C@@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@H]4CC[C@]23C)C(=O)O1Aglycone:
CC(C)=CC1C=C(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.86 |
| AlogP: | 4.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 616.84 | Num_heavy_atoms: | 44 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD15005
Formula: C30H46O3
Smiles:
CC(C)=CC1C=C(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)C(=O)O1| HBA: | 3 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 6.85 | Num_rotatable_bonds: | 2 |
| MolWt: | 454.7 | Num_heavy_atoms: | 33 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
