Glycoside
GD138780
Name:
Pregn-5-Ene-3,14,20-Triol; (3β,14β,20S)-Form, 3-O-[2,6-Dideoxy-β-D-Ribo-Hexopyranoside]Formula:
C27H44O6Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(OC5CC(O)C(O)C(C)O5)CCC4(C)C3CCC12CAglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 464.64 | Num_heavy_atoms: | 33 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD46291
Formula: C21H34O3
Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
