Glycoside
GD138150
Name:
Bispolide A2Formula:
C63H102O18Smiles:
CCC1=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(OC3CC(O)C(O)C(C)O3)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(O)CC(OC3CC(O)C(O)C(C)O3)C(CC)C(C)O2)OC(=O)C=C1Aglycone:
CCC1=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(O)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(O)CC(O)C(CC)C(C)O2)OC(=O)C=C1Sugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.78 |
| AlogP: | 7.73 | Num_rotatable_bonds: | 19 |
| MolWt: | 1147.49 | Num_heavy_atoms: | 81 |
| TPSA: | 258.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD52815
Formula: C51H82O12
Smiles:
CCC1=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(O)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(O)CC(O)C(CC)C(C)O2)OC(=O)C=C1| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 7.97 | Num_rotatable_bonds: | 15 |
| MolWt: | 887.21 | Num_heavy_atoms: | 63 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
