Glycoside
GD112161
Name:
4-{3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-11a-methyl-9a-({[(pyridin-2-yl)methyl]imino}methyl)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C36H50O8N2Smiles:
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/Cc4ccccn4)[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=NCc3ccccn3)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | 3.9 | Num_rotatable_bonds: | 7 |
| MolWt: | 638.8 | Num_heavy_atoms: | 46 |
| TPSA: | 139.93 | NumAromaticRings: | 1 |
Unique Aglycone
AD44714
Formula: C29H38O5N2
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NCc3ccccn3)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 3.37 | Num_rotatable_bonds: | 4 |
| MolWt: | 494.63 | Num_heavy_atoms: | 36 |
| TPSA: | 112.24 | NumAromaticRings: | 1 |
