Glycoside
...
GD013785

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

Formula:
C43H70O17

Smiles:
CC(C)CCC(=O)[C@H](C)[C@]1(O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H]2O)C[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C

Aglycone:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:
OCC1OC(OC2COC(OC3C(O)COC(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 10 FractionCSP3: 0.93
AlogP: -0.6 Num_rotatable_bonds: 12
MolWt: 859.02 Num_heavy_atoms: 60
TPSA: 274.75 NumAromaticRings: 0

Unique Aglycone
AD01328
Formula: C27H44O4

Smiles:
CC(C)CCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
HBA: 4 RingCount: 4
HBD: 3 FractionCSP3: 0.89
AlogP: 4.65 Num_rotatable_bonds: 5
MolWt: 432.65 Num_heavy_atoms: 31
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD01865

OCC1OC(OC2COC(OC3C(O)COC(O)C3O)C(O)C2O)C(O)C(O)C1O