Glycoside
GD000773
Name:
CERTONARDOSIDE P1Formula:
C35H62O10Smiles:
CO[C@@H]1CO[C@H](OCC[C@H](CC[C@H](C)[C@@H]2[C@H](O)[C@H](O)[C@H]3[C@@]2(C)CC[C@H]2[C@@]3(O)C[C@H](O)[C@@H]3C[C@H](O)CC[C@]32C)C(C)C)[C@H](O)[C@H]1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12OSugarmoiety:
COC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 642.87 | Num_heavy_atoms: | 45 |
| TPSA: | 169.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD00818
Formula: C29H52O6
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.73 | Num_heavy_atoms: | 35 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
