Glycoside

GD004169
Name:
AsgluFormula:
C51H90O7Smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@H]4[C@@H]5CC[C@@H]([C@H](C)CC[C@H](CC)C(C)C)[C@]5(C)CC[C@H]43)C2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C.CCCCCCCCCCCCCCCC(=O)OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.94 |
AlogP: | 11.88 | Num_rotatable_bonds: | 24 |
MolWt: | 815.27 | Num_heavy_atoms: | 58 |
TPSA: | 105.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD01460
Formula: C29H50O
Smiles:
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)CHBA: | 1 | RingCount: | 4 |
HBD: | 1 | FractionCSP3: | 0.93 |
AlogP: | 8.02 | Num_rotatable_bonds: | 6 |
MolWt: | 414.72 | Num_heavy_atoms: | 30 |
TPSA: | 20.23 | NumAromaticRings: | 0 |
AD03475
Formula: C17H34O2
Smiles:
CCCCCCCCCCCCCCCC(=O)OCHBA: | 2 | RingCount: | 0 |
HBD: | 0 | FractionCSP3: | 0.94 |
AlogP: | 5.64 | Num_rotatable_bonds: | 14 |
MolWt: | 270.46 | Num_heavy_atoms: | 19 |
TPSA: | 26.3 | NumAromaticRings: | 0 |