Glycoside
GD146103
Name:
dammar-23-ene-3,6,12,20,25-pentol; (3β,6α,12β,20s,23e)-form, 25-hydroperoxide, 20-o-[β-d-apiofuranosyl-(1->2)-β-d-glucopyranoside]Formula:
C41H70O15Smiles:
CC(C)(C=CCC(C)(OC1OC(CO)C(O)C(O)C1OC1OCC(O)(CO)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OOAglycone:
CC(C)(C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OOSugarmoiety:
OCC1OC(O)C(OC2OCC(O)(CO)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 11 |
| MolWt: | 803.0 | Num_heavy_atoms: | 56 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD51157
Formula: C30H52O6
Smiles:
CC(C)(C=CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C)OO| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 508.74 | Num_heavy_atoms: | 36 |
| TPSA: | 110.38 | NumAromaticRings: | 0 |
