Glycoside
GD154727
Name:
2-{[15-(3,7-dihydroxy-6-methylhept-5-en-2-yl)-14-hydroxy-7,12,16-trimethyl-7-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C42H70O15Smiles:
CC(=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(COC5OC(CO)C(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)CCC45CC35CCC12C)COAglycone:
CC(=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 815.01 | Num_heavy_atoms: | 57 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD61428
Formula: C30H50O5
Smiles:
CC(=CCC(O)C(C)C1C(O)CC2(C)C3CCC4C(C)(CO)C(O)CCC45CC35CCC12C)CO| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
