Glycoside
GD120705
Name:
[({7-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-3a,5a-dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-9a-yl}methylidene)amino]ureaFormula:
C30H45O9N3Smiles:
CC1OC(OC2CCC3(C=NNC(=N)O)C4CCC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)CC(O)C1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=N)O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 591.7 | Num_heavy_atoms: | 42 |
| TPSA: | 194.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD48519
Formula: C24H35O6N3
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=N)O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 461.56 | Num_heavy_atoms: | 33 |
| TPSA: | 155.46 | NumAromaticRings: | 0 |
