Glycoside
GD142199
Name:
Pregn-5-Ene-3,14,20-Triol; (3β,14β,20S)-Form, 3-O-[β-D-Digitoxopyranosyl-(1->4)-O-β-D-Digitoxopyranosyl-(1->4)-O-β-D-Digitoxopyranoside]Formula:
C39H64O12Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(OC5CC(O)C(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CCC12CAglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)CC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 7 |
| MolWt: | 724.93 | Num_heavy_atoms: | 51 |
| TPSA: | 176.76 | 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 |
