Glycoside
GD112572
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-9a-({[2-(4-fluorophenyl)ethyl]imino}methyl)-3a,5a-dihydroxy-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C37H50O8NFSmiles:
C[C@@H]1O[C@H](O[C@H]2CC[C@]3(/C=N/CCc4ccc(F)cc4)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@H]1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCc3ccc(F)cc3)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 655.8 | Num_heavy_atoms: | 47 |
| TPSA: | 138.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD44780
Formula: C31H40O5NF
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCc3ccc(F)cc3)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.68 |
| AlogP: | 4.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 525.66 | Num_heavy_atoms: | 38 |
| TPSA: | 99.35 | NumAromaticRings: | 1 |
