Glycoside
...
GD035976

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

Formula:
C50H78O27

Smiles:
CC(=O)C1=CC[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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@]12C

Aglycone:
CC(=O)C1=CCC2C3CC=C4CC(O)C(O)CC4(C)C3CCC12C

Sugarmoiety:
OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(CO)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 16 FractionCSP3: 0.9
AlogP: -6.83 Num_rotatable_bonds: 15
MolWt: 1111.15 Num_heavy_atoms: 77
TPSA: 433.05 NumAromaticRings: 0

Unique Aglycone
AD22736
Formula: C21H30O3

Smiles:
CC(=O)C1=CCC2C3CC=C4CC(O)C(O)CC4(C)C3CCC12C
HBA: 3 RingCount: 4
HBD: 2 FractionCSP3: 0.76
AlogP: 3.41 Num_rotatable_bonds: 1
MolWt: 330.47 Num_heavy_atoms: 24
TPSA: 57.53 NumAromaticRings: 0

Sugarmoiety
SD00871

OCC1OC(OC2C(O)C(CO)OC(OC3C(OC4C(CO)OC(O)C(O)C4O)OC(CO)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O