Glycoside
GD031920
Name:
4-[3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxolan-2-oneFormula:
C29H46O12Smiles:
C[C@@H]1O[C@H](O[C@@H]2C[C@H](O)[C@]3(CO)[C@@H]4C(CC[C@@]3(O)C2)[C@]2(O)CC[C@H]([C@@H]3COC(=O)C3)[C@@]2(C)C[C@H]4O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C1COC(=O)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.97 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 586.68 | Num_heavy_atoms: | 41 |
| TPSA: | 206.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD11984
Formula: C23H36O8
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CC(O)C34CO)C1(O)CCC2C1COC(=O)C1| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 440.53 | Num_heavy_atoms: | 31 |
| TPSA: | 147.68 | NumAromaticRings: | 0 |
