Glycoside
...
GD128438

Name:
1-(3a,3b,10-trihydroxy-7-{[4-methoxy-5-({4-methoxy-5-[(4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-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-1-yl)ethan-1-one

Formula:
C48H78O19

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3C(O)CC3(C)C(C(C)=O)CCC34O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1

Aglycone:
CC(=O)C1CCC2(O)C1(C)CC(O)C1C3(C)CCC(O)CC3=CCC12O

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

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 7 FractionCSP3: 0.94
AlogP: 1.15 Num_rotatable_bonds: 13
MolWt: 959.13 Num_heavy_atoms: 67
TPSA: 260.21 NumAromaticRings: 0

Unique Aglycone
AD52021
Formula: C21H32O5

Smiles:
CC(=O)C1CCC2(O)C1(C)CC(O)C1C3(C)CCC(O)CC3=CCC12O
HBA: 5 RingCount: 4
HBD: 4 FractionCSP3: 0.86
AlogP: 1.72 Num_rotatable_bonds: 1
MolWt: 364.48 Num_heavy_atoms: 26
TPSA: 97.99 NumAromaticRings: 0

Sugarmoiety
SD02036

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