Glycoside
GD143984
Name:
Chc-B2Formula:
C50H76O15Smiles:
COC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(CC(O)C(C)C(C6CCCCC6)O5)O4)OC(=O)C4C=C(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1OAglycone:
CC1=CCC2CC(CC3(CC(O)C(C)C(C4CCCCC4)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23OSugarmoiety:
COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 917.14 | Num_heavy_atoms: | 65 |
| TPSA: | 190.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD57889
Formula: C36H52O9
Smiles:
CC1=CCC2CC(CC3(CC(O)C(C)C(C4CCCCC4)O3)O2)OC(=O)C2C=C(C)C(O)C3OCC(=CC=CC(C)C1O)C23O| HBA: | 9 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 628.8 | Num_heavy_atoms: | 45 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
