Glycoside
GD022665
Name:
5-{3a,10-dihydroxy-9a,11a-dimethyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2H-pyran-2-oneFormula:
C30H44O9Smiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3[C@H](O)C[C@]3(C)[C@H](c5ccc(=O)oc5)CC[C@@]43O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(c3ccc(=O)oc3)CCC12OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.67 | Num_heavy_atoms: | 39 |
| TPSA: | 149.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD15341
Formula: C24H34O5
Smiles:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(c3ccc(=O)oc3)CCC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 402.53 | Num_heavy_atoms: | 29 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
