Glycoside
GD147809
Name:
4-[9a-({[2-(cyclohex-1-en-1-yl)ethenyl]amino}methyl)-7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-oneFormula:
C37H55O8NSmiles:
CC1OC(OC2CCC3(CNC=CC4=CCCCC4)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34CNC=CC3=CCCCC3)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 641.85 | Num_heavy_atoms: | 46 |
| TPSA: | 137.71 | NumAromaticRings: | 0 |
Unique Aglycone
AD59176
Formula: C31H45O5N
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34CNC=CC3=CCCCC3)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 511.7 | Num_heavy_atoms: | 37 |
| TPSA: | 99.02 | NumAromaticRings: | 0 |
