Glycoside
GD113411
Name:
10-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,14a,14b-icosahydropicene-4a-carboxylic acidFormula:
C35H56O7Smiles:
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](C=C[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 588.83 | Num_heavy_atoms: | 42 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD44815
Formula: C30H48O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(C=CC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 7.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 456.71 | Num_heavy_atoms: | 33 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
