Glycoside
GD157194
Name:
pregn-5-ene-3,14,20-triol; (3β,14β,20s)-form, 3-o-[β-d-xylopyranosyl-(1->4)-β-d-digitoxopyranosyl-(1->4)-β-d-xylopyranosyl-(1->4)-β-d-digitoxopyranoside]Formula:
C43H70O17Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(OC5CC(O)C(OC6OCC(OC7CC(O)C(OC8OCC(O)C(O)C8O)C(C)O7)C(O)C6O)C(C)O5)CCC4(C)C3CCC12CAglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2COC(OC3C(O)CC(O)OC3C)C(O)C2O)CC(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 9 |
| MolWt: | 859.02 | Num_heavy_atoms: | 60 |
| TPSA: | 255.91 | 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 |
