Glycoside
GD130404
Name:
2-[(6-{[1-(5-ethyl-6-methylhepta-3,6-dien-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C41H66O10Smiles:
C=C(C)C(C=CC(C)C1CCC2C3CC=C4CC(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)CCC4(C)C3CCC12C)CCAglycone:
C=C(C)C(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)CCSugarmoiety:
CC1OC(O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 4.4 | Num_rotatable_bonds: | 10 |
| MolWt: | 718.97 | Num_heavy_atoms: | 51 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD13443
Formula: C29H46O
Smiles:
C=C(C)C(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)CC| HBA: | 1 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.79 |
| AlogP: | 7.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.69 | Num_heavy_atoms: | 30 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
