Glycoside
GD124965
Name:
[({3a,5a-dihydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl}methylidene)amino]thioureaFormula:
C31H47O8N3SSmiles:
COC1CC(OC2CCC3(C=NNC(=N)S)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=N)S)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 621.8 | Num_heavy_atoms: | 43 |
| TPSA: | 162.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD50527
Formula: C24H35O5N3S
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=N)S)C1(O)CCC2C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.79 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 477.63 | Num_heavy_atoms: | 33 |
| TPSA: | 135.23 | NumAromaticRings: | 0 |
