Glycoside
GD120665
Name:
(6-{[15-(5,6-dihydroxy-6-methylheptan-2-yl)-14-hydroxy-7,7,12,16-tetramethyl-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,â¸.0¹²,¹â¶]octadecan-9-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetateFormula:
C43H72O15Smiles:
CC(=O)OCC1OC(OC2CC3C4(C)CC(O)C(C(C)CCC(O)C(C)(C)O)C4(C)CCC34CC43CCC(OC4OCC(O)C(O)C4O)C(C)(C)C23)C(O)C(O)C1OAglycone:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C.COC(C)=OSugarmoiety:
OC1COC(O)C(O)C1O.OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.98 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 11 |
| MolWt: | 829.03 | Num_heavy_atoms: | 58 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD11918
Formula: C30H52O5
Smiles:
CC(CCC(O)C(C)(C)O)C1C(O)CC2(C)C3CC(O)C4C(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 |
