Glycoside
GD011765
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-hydroxy-2,3-dimethyl-6-{7,9,10-trihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}hept-2-enoateFormula:
C34H54O11Smiles:
CC(C[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)C[C@H](O)[C@@]4(C)[C@H]3[C@H](O)C[C@@]12C)=C(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C)=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.85 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.8 | Num_heavy_atoms: | 45 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD06222
Formula: C28H44O6
Smiles:
CC(CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C)=C(C)C(=O)O| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 476.65 | Num_heavy_atoms: | 34 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
