Glycoside
...
GD125869

Name:
1-acetyl-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]-3a,3b-dihydroxy-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:
C51H82O19

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(C)=O)C3(C)C(C(C)=O)CCC43O)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)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=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: 19 RingCount: 8
HBD: 4 FractionCSP3: 0.92
AlogP: 3.4 Num_rotatable_bonds: 14
MolWt: 999.2 Num_heavy_atoms: 70
TPSA: 235.05 NumAromaticRings: 0

Unique Aglycone
AD49986
Formula: C23H34O6

Smiles:
CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(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
SD00850

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3O)C(C)O2)C(C)O1