Glycoside
...
GD116094

Name:
7-[(5-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-3a,10,11-triol

Formula:
C49H82O18

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4C3C(O)C(O)C3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C

Sugarmoiety:
COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 6 FractionCSP3: 0.96
AlogP: 2.47 Num_rotatable_bonds: 13
MolWt: 959.18 Num_heavy_atoms: 67
TPSA: 232.14 NumAromaticRings: 0

Unique Aglycone
AD45162
Formula: C21H34O5

Smiles:
CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C
HBA: 5 RingCount: 4
HBD: 5 FractionCSP3: 0.9
AlogP: 1.36 Num_rotatable_bonds: 1
MolWt: 366.5 Num_heavy_atoms: 26
TPSA: 101.15 NumAromaticRings: 0

Sugarmoiety
SD00850

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1