Glycoside
GD107400
Name:
N-[3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]-1-(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methanesulfonamideFormula:
C30H47O10NSSmiles:
CO[C@@H]1O[C@H](CS(=O)(=O)N[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
CC12CCC(NS(C)(=O)=O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 613.77 | Num_heavy_atoms: | 42 |
| TPSA: | 171.85 | NumAromaticRings: | 0 |
Unique Aglycone
AD44309
Formula: C24H37O5NS
Smiles:
CC12CCC(NS(C)(=O)=O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 3.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 451.63 | Num_heavy_atoms: | 31 |
| TPSA: | 92.7 | NumAromaticRings: | 0 |
