Glycoside
...
GD121668

Name:
1-acetyl-3a,3b-dihydroxy-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-11-yl pyridine-3-carboxylate

Formula:
C54H81O20N

Smiles:
COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(OC(=O)c3cccnc3)C3(C)C(C(C)=O)CCC43O)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)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C

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: 21 RingCount: 9
HBD: 6 FractionCSP3: 0.83
AlogP: 2.41 Num_rotatable_bonds: 15
MolWt: 1064.23 Num_heavy_atoms: 75
TPSA: 279.17 NumAromaticRings: 1

Unique Aglycone
AD48986
Formula: C27H35O6N

Smiles:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.67
AlogP: 2.98 Num_rotatable_bonds: 3
MolWt: 469.58 Num_heavy_atoms: 34
TPSA: 116.95 NumAromaticRings: 1

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