Glycoside
GD108709
Name:
4-{3a,5a-dihydroxy-9a-[(hydroxyimino)methyl]-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H43O10NSmiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(/C=N/O)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 565.66 | Num_heavy_atoms: | 40 |
| TPSA: | 178.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD44472
Formula: C23H33O6N
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 2 |
| MolWt: | 419.52 | Num_heavy_atoms: | 30 |
| TPSA: | 119.58 | NumAromaticRings: | 0 |
