Glycoside
GD009593
Name:
(4,5,7-trihydroxy-9a,11a-dimethyl-1-{6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl}-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxidanesulfonic acidFormula:
C32H56O12SSmiles:
CC(C)[C@H](CC[C@H](C)[C@@H]1C[C@H](OS(=O)(=O)O)[C@@H]2[C@@H]3[C@H](O)[C@H](O)C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C)OC1OCC(O)C(O)C1OAglycone:
CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)O)C2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 664.86 | Num_heavy_atoms: | 45 |
| TPSA: | 203.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD07509
Formula: C27H48O8S
Smiles:
CC(C)C(O)CCC(C)C1CC(OS(=O)(=O)O)C2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.18 | Num_rotatable_bonds: | 7 |
| MolWt: | 532.74 | Num_heavy_atoms: | 36 |
| TPSA: | 144.52 | NumAromaticRings: | 0 |
