Glycoside
GD004572
Name:
2-{[7,11-dihydroxy-3a,3b,6,6,9a-pentamethyl-1-(4,5,6-trihydroxy-6-methylhept-2-en-2-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C36H62O11Smiles:
CC(=C[C@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@]12CAglycone:
CC(=CC(O)C(O)C(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 670.88 | Num_heavy_atoms: | 47 |
| TPSA: | 200.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD03973
Formula: C30H52O6
Smiles:
CC(=CC(O)C(O)C(C)(C)O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 3.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.74 | Num_heavy_atoms: | 36 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
