Glycoside
GD121750
Name:
8-[1-({5-[(2,4-dihydroxy-3-methoxy-5-methylcyclohexyl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)ethyl]-8,16-dihydroxy-3,9,13-trimethyl-6-azapentacyclo[10.8.0.0²,â¹.0³,â·.0¹³,¹â¸]icos-18-en-5-oneFormula:
C39H63O10NSmiles:
COC1CC(OC(C)C2(O)C3N=C(O)CC3(C)C3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC(C)C1OC1CC(C)C(O)C(OC)C1OAglycone:
CC(O)C1(O)C2N=C(O)CC2(C)C2C3CC=C4CC(O)CCC4(C)C3CCC21C.COC1C(O)C(C)CC(O)C1OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.92 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 705.93 | Num_heavy_atoms: | 50 |
| TPSA: | 159.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD49020
Formula: C24H37O4N
Smiles:
CC(O)C1(O)C2N=C(O)CC2(C)C2C3CC=C4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 403.56 | Num_heavy_atoms: | 29 |
| TPSA: | 93.28 | NumAromaticRings: | 0 |
AD49021
Formula: C8H16O4
Smiles:
COC1C(O)C(C)CC(O)C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.21 | Num_heavy_atoms: | 12 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
