Glycoside
...
GD128789

Name:
1-acetyl-11-(acetyloxy)-7-({5-[(5-{[3,5-bis(acetyloxy)-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-2,6-dimethyloxan-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-10-yl acetate

Formula:
C51H78O20

Smiles:
COC1CC(C)(OC2CCC3(C)C(=CCC4(O)C3C(OC(C)=O)C(OC(C)=O)C3(C)C(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC(C)=O)C(OC)C2OC(C)=O)C(C)O1

Aglycone:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(C)=O

Sugarmoiety:
COC1CC(C)(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC(C)=O)C(OC)C2OC(C)=O)C(C)O1

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 2 FractionCSP3: 0.86
AlogP: 3.94 Num_rotatable_bonds: 14
MolWt: 1011.17 Num_heavy_atoms: 71
TPSA: 245.8 NumAromaticRings: 0

Unique Aglycone
AD52171
Formula: C25H36O8

Smiles:
CC(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(C)=O
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.8
AlogP: 1.83 Num_rotatable_bonds: 3
MolWt: 464.56 Num_heavy_atoms: 33
TPSA: 130.36 NumAromaticRings: 0

Sugarmoiety
SD06990

COC1CC(C)(O)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC(C)=O)C(OC)C2OC(C)=O)C(C)O1