Glycoside
...
GD126730

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,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,3a,3b,5a,11-pentol

Formula:
C49H82O20

Smiles:
COC1CC(OC2CCC3(C)C4CC(O)C5(C)C(O)(C(C)O)CCC5(O)C4(O)C=CC3(O)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)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(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: 20 RingCount: 8
HBD: 8 FractionCSP3: 0.96
AlogP: 0.7 Num_rotatable_bonds: 13
MolWt: 991.18 Num_heavy_atoms: 69
TPSA: 272.6 NumAromaticRings: 0

Unique Aglycone
AD51295
Formula: C21H34O7

Smiles:
CC(O)C1(O)CCC2(O)C3(O)C=CC4(O)CC(O)CCC4(C)C3CC(O)C12C
HBA: 7 RingCount: 4
HBD: 7 FractionCSP3: 0.9
AlogP: -0.41 Num_rotatable_bonds: 1
MolWt: 398.5 Num_heavy_atoms: 28
TPSA: 141.61 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