Glycoside
...
GD157340

Name:
7-{[5-({5-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-hydroxy-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,3b,10,11-tetrol

Formula:
C41H68O16

Smiles:
COC1CC(OC2C(O)CC(OC3CCC4(C)C(=CCC5(O)C4C(O)C(O)C4(C)C(C(C)O)CCC54O)C3)OC2C)OC(C)C1OC1OC(C)C(O)C(OC)C1O

Aglycone:
CC(O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(C)C(O)C(OC)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 7
HBD: 8 FractionCSP3: 0.95
AlogP: 0.4 Num_rotatable_bonds: 9
MolWt: 816.98 Num_heavy_atoms: 57
TPSA: 235.68 NumAromaticRings: 0

Unique Aglycone
AD49645
Formula: C21H34O6

Smiles:
CC(O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3C(O)C(O)C12C
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.9
AlogP: 0.48 Num_rotatable_bonds: 1
MolWt: 382.5 Num_heavy_atoms: 27
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD09754

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(C)C(O)C(OC)C1O