Glycoside
GD154414
Name:
methyl 6-{[8a,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylateFormula:
C42H68O15Smiles:
COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(O)CCC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
CC1(C)CC(O)C2(O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 812.99 | Num_heavy_atoms: | 57 |
| TPSA: | 245.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD51464
Formula: C29H48O4
Smiles:
CC1(C)CC(O)C2(O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
