Glycoside
GD000659
Name:
CERTONARDOSIDE O1Formula:
C35H62O9Smiles:
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@@H]4C[C@H](O)[C@@H]5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]23C)C(C)C)[C@H](O)[C@H]1OAglycone:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 1.0 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 626.87 | Num_heavy_atoms: | 44 |
| TPSA: | 149.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD00711
Formula: C29H52O5
Smiles:
CC(C)C(CCO)CCC(C)C1C(O)C(O)C2C3CC(O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.73 | Num_heavy_atoms: | 34 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
