Glycoside
GD145270
Name:
2-{[2,4-dihydroxy-9a,11a-dimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C34H56O7Smiles:
C=C(CCC(C)C1C(O)CC2C3C(O)C=C4CC(OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)CAglycone:
C=C(CCC(C)C1C(O)CC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21C)C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 4.35 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.82 | Num_heavy_atoms: | 41 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD19927
Formula: C28H46O3
Smiles:
C=C(CCC(C)C1C(O)CC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21C)C(C)C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 5.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 430.67 | Num_heavy_atoms: | 31 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
