Glycoside
GD111381
Name:
4-{7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-9a-({[(furan-2-yl)methyl]imino}methyl)-3a,5a-dihydroxy-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C34H47O9NSmiles:
C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(/C=N/Cc4ccco4)[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=NCc3ccco3)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | 3.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 613.75 | Num_heavy_atoms: | 44 |
| TPSA: | 151.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD44712
Formula: C28H37O6N
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCc3ccco3)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 3.56 | Num_rotatable_bonds: | 4 |
| MolWt: | 483.61 | Num_heavy_atoms: | 35 |
| TPSA: | 112.49 | NumAromaticRings: | 1 |
