Glycoside
GD029916
Name:
MADAGASCARENSILIDE BFormula:
C36H56O11Smiles:
CO[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3CC[C@@]4(C)[C@@H](CC[C@H]5[C@H]4CC[C@]4(C)[C@H](C6=CC(=O)OC6)CC[C@@]54O)C3)C[C@H]2O)O[C@@H](C)[C@H]1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(C)OC(OC2C(O)CC(O)OC2C)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.92 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.83 | Num_heavy_atoms: | 47 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD01378
Formula: C23H34O4
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 374.52 | Num_heavy_atoms: | 27 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
