Glycoside
GD130157
Name:
4-{3a,5a,10-trihydroxy-9a-[(hydroxyimino)methyl]-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H43O11NSmiles:
CC1OC(OC2CCC3(C=NO)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C=NO)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.86 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 581.66 | Num_heavy_atoms: | 41 |
| TPSA: | 198.73 | NumAromaticRings: | 0 |
Unique Aglycone
AD52740
Formula: C23H33O7N
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C=NO)C1(O)CCC2C1=CC(=O)OC1| HBA: | 8 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 435.52 | Num_heavy_atoms: | 31 |
| TPSA: | 139.81 | NumAromaticRings: | 0 |
