Glycoside
...
GD010635

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

Formula:
C56H88O29

Smiles:
CC(C(=O)CC[C@H](C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=C1C(=O)C[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@]12C

Aglycone:
CC(C(=O)CCC(C)CO)=C1C(=O)CC2C3CC=C4CC(O)C(O)CC4(C)C3CCC12C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 29 RingCount: 9
HBD: 17 FractionCSP3: 0.89
AlogP: -6.49 Num_rotatable_bonds: 19
MolWt: 1225.29 Num_heavy_atoms: 85
TPSA: 470.35 NumAromaticRings: 0

Unique Aglycone
AD08189
Formula: C27H40O5

Smiles:
CC(C(=O)CCC(C)CO)=C1C(=O)CC2C3CC=C4CC(O)C(O)CC4(C)C3CCC12C
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.78
AlogP: 3.75 Num_rotatable_bonds: 5
MolWt: 444.61 Num_heavy_atoms: 32
TPSA: 94.83 NumAromaticRings: 0

Sugarmoiety
SD00820

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O