Glycoside
GD000202
Name:
2-{[7,10-dihydroxy-1-(3-hydroxy-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C33H56O8Smiles:
CC(C)CC[C@H](O)[C@H](C)[C@@H]1[C@H](OC2OC(C)C(O)C(O)C2O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3[C@H](O)C[C@@]12CAglycone:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 580.8 | Num_heavy_atoms: | 41 |
| TPSA: | 139.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD00238
Formula: C27H46O4
Smiles:
CC(C)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3C(O)CC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
