Glycoside
GD129394
Name:
dammar-25-ene-3,6,12,20,24-pentol; (3β,6α,12β,20s,24ζ)-form, 6-o-[α-l-rhamnopyranosyl-(1->2)-β-d-glucopyranoside], 20-o-β-d-glucopyranoside (1)Formula:
C48H82O19Smiles:
C=C(C)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC12CAglycone:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.96 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 963.17 | Num_heavy_atoms: | 67 |
| TPSA: | 318.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46771
Formula: C30H52O5
Smiles:
C=C(C)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
