Glycoside
...
GD005322

Name:
2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-6-[(6-methyl-2-{5,7,11-trihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-5-en-2-yl)oxy]oxane-3,4,5-triol

Formula:
C46H78O17

Smiles:
CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@H]1[C@H](O)C[C@@H]1[C@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@H](O)C[C@]12C

Aglycone:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C

Sugarmoiety:
OC1COC(OC2COC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 11 FractionCSP3: 0.96
AlogP: 0.22 Num_rotatable_bonds: 11
MolWt: 903.11 Num_heavy_atoms: 63
TPSA: 277.91 NumAromaticRings: 0

Unique Aglycone
AD00144
Formula: C30H52O4

Smiles:
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C
HBA: 4 RingCount: 4
HBD: 4 FractionCSP3: 0.93
AlogP: 5.47 Num_rotatable_bonds: 4
MolWt: 476.74 Num_heavy_atoms: 34
TPSA: 80.92 NumAromaticRings: 0

Sugarmoiety
SD00996

OC1COC(OC2COC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C1O