Glycoside
GD000774
Name:
CERTONARDOSIDE I2Formula:
C35H62O11Smiles:
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]3[C@H](O)[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)C(O)C3C(O)CC12OSugarmoiety:
COC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 10 |
| MolWt: | 658.87 | Num_heavy_atoms: | 46 |
| TPSA: | 189.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD00819
Formula: C29H52O7
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O| HBA: | 7 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 512.73 | Num_heavy_atoms: | 36 |
| TPSA: | 141.61 | NumAromaticRings: | 0 |
