Glycoside
...
GD117005

Name:
7-{[4-hydroxy-5-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-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-1,3a,3b,11-tetrol

Formula:
C40H66O15

Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(=CCC6(O)C5CC(O)C5(C)C(O)(C(C)O)CCC65O)C4)OC3C)OC2C)OC(C)C1O

Aglycone:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 7
HBD: 8 FractionCSP3: 0.95
AlogP: 0.92 Num_rotatable_bonds: 8
MolWt: 786.95 Num_heavy_atoms: 55
TPSA: 226.45 NumAromaticRings: 0

Unique Aglycone
AD46580
Formula: C21H34O6

Smiles:
CC(O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C
HBA: 6 RingCount: 4
HBD: 6 FractionCSP3: 0.9
AlogP: 0.62 Num_rotatable_bonds: 1
MolWt: 382.5 Num_heavy_atoms: 27
TPSA: 121.38 NumAromaticRings: 0

Sugarmoiety
SD04647

COC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1O