Glycoside
GD135983
Name:
2-(hydroxymethyl)-6-{[7,7,12,16-tetramethyl-15-(3,5,6-trihydroxy-6-methylheptan-2-yl)-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-14-yl]oxy}oxane-3,4,5-triolFormula:
C41H70O14Smiles:
CC(C(O)CC(O)C(C)(C)O)C1C(OC2OC(CO)C(O)C(O)C2O)CC2(C)C3CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35CCC12CAglycone:
CC(C(O)CC(O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12CSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 10 |
| MolWt: | 787.0 | Num_heavy_atoms: | 55 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD54975
Formula: C30H52O5
Smiles:
CC(C(O)CC(O)C(C)(C)O)C1C(O)CC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C| HBA: | 5 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
