Glycoside
GD036993
Name:
16Alpha-Hydroxycalactinic Acid Methyl EsterFormula:
C30H42O11Smiles:
COC(=O)[C@]1(O)C[C@H](C)O[C@H]1O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](C5=CC(=O)OC5)[C@H](O)C[C@]34O)[C@@]2(C=O)C[C@H]1OAglycone:
CC12CCC3C(CCC4CC(O)C(O)CC43C=O)C1(O)CC(O)C2C1=CC(=O)OC1Sugarmoiety:
COC(=O)C1(O)CC(C)OC1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.66 | Num_heavy_atoms: | 41 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD23330
Formula: C23H32O7
Smiles:
CC12CCC3C(CCC4CC(O)C(O)CC43C=O)C1(O)CC(O)C2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 420.5 | Num_heavy_atoms: | 30 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
