Glycoside
GD008890
Name:
MADAGASCARENSILIDE CFormula:
C43H66O15Smiles:
CO[C@H]1C[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@]5(C=O)[C@@H]6CC[C@]7(C)[C@H](C8=CC(=O)OC8)CC[C@@]7(O)[C@H]6CC[C@@]5(O)C4)C[C@H]3O)C[C@H]2OC)O[C@@H](C)[C@H]1OAglycone:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(O)CC(O)OC3C)CC2OC)OC(C)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 2.85 | Num_rotatable_bonds: | 10 |
| MolWt: | 822.99 | Num_heavy_atoms: | 58 |
| TPSA: | 198.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD00229
Formula: C23H32O6
Smiles:
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 6 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 404.5 | Num_heavy_atoms: | 29 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
