Glycoside
...
GD021133

Name:
3,5-dihydroxy-2-{[1-(3-hydroxy-6-methylhept-5-en-2-yl)-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-6-methyloxan-4-yl acetate

Formula:
C41H66O13

Smiles:
CC(=O)O[C@H]1[C@H](O)[C@@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]2[C@H](C)[C@H](O)CC=C(C)C)O[C@@H](C)[C@H]1O

Aglycone:
CC(C)=CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 6
HBD: 7 FractionCSP3: 0.88
AlogP: 2.5 Num_rotatable_bonds: 10
MolWt: 766.97 Num_heavy_atoms: 54
TPSA: 204.83 NumAromaticRings: 0

Unique Aglycone
AD14485
Formula: C27H44O3

Smiles:
CC(C)=CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 3 RingCount: 4
HBD: 3 FractionCSP3: 0.85
AlogP: 5.25 Num_rotatable_bonds: 4
MolWt: 416.65 Num_heavy_atoms: 30
TPSA: 60.69 NumAromaticRings: 0

Sugarmoiety
SD02385

CC(=O)OC1C(O)C(C)OC(O)C1O.OCC1OC(O)C(O)C(O)C1O