Glycoside
GD115736
Name:
7-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]-1-(7-hydroxy-5,6-dimethylhept-3-en-2-yl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,3b,5,6-tetrolFormula:
C35H60O10Smiles:
COC1COC(OC2CCC3(C)C(C(O)CC4(O)C3CCC3(C)C(C(C)C=CC(C)C(C)CO)CC(O)C34)C2O)C(OC)C1OAglycone:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)COSugarmoiety:
COC1COC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 9 |
| MolWt: | 640.86 | Num_heavy_atoms: | 45 |
| TPSA: | 158.3 | NumAromaticRings: | 0 |
Unique Aglycone
AD04735
Formula: C28H48O6
Smiles:
CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.69 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
