Glycoside
...
GD125256

Name:
1-acetyl-1,3a-dihydroxy-7-[(5-{[5-({5-[(5-{[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}-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:
C70H114O27

Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(OC7C(C)OC(OC8CCC9(C)C(=CCC%10C9CC(OC(C)=O)C9(C)C(O)(C(C)=O)CCC%109O)C8)CC7OC)CC6OC)CC5OC)CC4OC)OC3C)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(O)CC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(OC7C(C)OC(O)CC7OC)CC6OC)CC5OC)CC4OC)OC3C)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 11
HBD: 5 FractionCSP3: 0.94
AlogP: 4.72 Num_rotatable_bonds: 21
MolWt: 1387.65 Num_heavy_atoms: 97
TPSA: 319.89 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
SD06449

COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(C)OC(OC5C(C)OC(OC6C(C)OC(OC7C(C)OC(O)CC7OC)CC6OC)CC5OC)CC4OC)OC3C)OC2C)OC(C)C1O