Glycoside
GD109694
Name:
4-{3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a-{[(2-hydroxyethyl)imino]methyl}-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C32H49O9NSmiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 591.74 | Num_heavy_atoms: | 42 |
| TPSA: | 147.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD44475
Formula: C25H37O6N
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCCO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 4 |
| MolWt: | 447.57 | Num_heavy_atoms: | 32 |
| TPSA: | 119.58 | NumAromaticRings: | 0 |
