Glycoside
GD155020
Name:
VersipelostatinFormula:
C61H94O17Smiles:
CCC1=CC(CO)CC(C)C(OC2CC(O)C(OC3CC(OC)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(C)O2)C(C)CCCC2(C)C=C(C)C(C)CC23OC(=O)C(=C(O)C2(CC)C1C(C)=CC1C(O)CC(=O)C(C)C12)C3=OAglycone:
CCC1=CC(CO)CC(C)C(O)C(C)CCCC2(C)C=C(C)C(C)CC23OC(=O)C(=C(O)C2(CC)C1C(C)=CC1C(O)CC(=O)C(C)C12)C3=OSugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(O)C(O)C(C)O1Other Identifiers
Properties
| HBA: | 17 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | 7.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 1099.41 | Num_heavy_atoms: | 78 |
| TPSA: | 246.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD58559
Formula: C42H62O8
Smiles:
CCC1=CC(CO)CC(C)C(O)C(C)CCCC2(C)C=C(C)C(C)CC23OC(=O)C(=C(O)C2(CC)C1C(C)=CC1C(O)CC(=O)C(C)C12)C3=O| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 6.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 694.95 | Num_heavy_atoms: | 50 |
| TPSA: | 141.36 | NumAromaticRings: | 0 |
