Glycoside
GD126649
Name:
6-{[3a-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-2-methyloxan-4-olFormula:
C34H56O9Smiles:
COC1CC(OC2C(O)CC(OC3=CC4CCC5C(CCC6(C)C(C(C)O)CCC56O)C4(C)CC3)OC2C)OC(C)C1OAglycone:
CC(O)C1CCC2(O)C3CCC4C=C(O)CCC4(C)C3CCC12CSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 6 |
| MolWt: | 608.81 | Num_heavy_atoms: | 43 |
| TPSA: | 127.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD51263
Formula: C21H34O3
Smiles:
CC(O)C1CCC2(O)C3CCC4C=C(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
