Glycoside
...
GD132186

Name:
1-acetyl-3a,3b-dihydroxy-7-[(4-hydroxy-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}-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:
C52H77O18N

Smiles:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)c6cccnc6)C6(C)C(C(C)=O)CCC76O)C5)OC4C)OC3C)OC2C)OC(C)C1O

Aglycone:
CC(=O)C1CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C

Sugarmoiety:
COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 9
HBD: 6 FractionCSP3: 0.83
AlogP: 3.15 Num_rotatable_bonds: 12
MolWt: 1004.18 Num_heavy_atoms: 71
TPSA: 260.71 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
SD04559

COC1CC(OC2C(O)CC(OC3C(O)CC(OC4C(O)CC(O)OC4C)OC3C)OC2C)OC(C)C1O