Glycoside
GD012632
Name:
2-{[1-(5-ethyl-6-methylhept-3-en-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C35H58O5Smiles:
CC[C@H](C=C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@H](O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)CAglycone:
CCC(C=CC(C)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 6.65 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.84 | Num_heavy_atoms: | 40 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD09506
Formula: C29H48O
Smiles:
CCC(C=CC(C)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C)C(C)C| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.7 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
