Glycoside
...
GD136309

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

Formula:
C64H104O24

Smiles:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(OC7CCC8(C)C(=CCC9C8CC(OC(C)=O)C8(C)C(O)(C(C)=O)CCC98O)C7)CC6OC)CC5OC)CC4OC)CC3OC)OC2C)OC(C)C1O

Aglycone:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)=O)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(O)CC6OC)CC5OC)CC4OC)CC3OC)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 10
HBD: 4 FractionCSP3: 0.94
AlogP: 4.84 Num_rotatable_bonds: 19
MolWt: 1257.51 Num_heavy_atoms: 88
TPSA: 281.2 NumAromaticRings: 0

Unique Aglycone
AD47639
Formula: C23H34O6

Smiles:
CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2(O)CCC(O)(C(C)=O)C12C
HBA: 6 RingCount: 4
HBD: 3 FractionCSP3: 0.83
AlogP: 2.29 Num_rotatable_bonds: 2
MolWt: 406.52 Num_heavy_atoms: 29
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD08035

COC1CC(OC2C(O)CC(OC3C(C)OC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(O)CC6OC)CC5OC)CC4OC)CC3OC)OC2C)OC(C)C1O