Glycoside
...
GD130779

Name:
1-acetyl-1,3a,3b-trihydroxy-7-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-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:
C48H71O16N

Smiles:
COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC5(C)C(=CCC6(O)C5CC(OC(=O)c5cccnc5)C5(C)C(O)(C(C)=O)CCC65O)C4)CC3OC)CC2OC)OC(C)C1O

Aglycone:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C

Sugarmoiety:
COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

Properties
HBA: 17 RingCount: 8
HBD: 4 FractionCSP3: 0.81
AlogP: 3.7 Num_rotatable_bonds: 12
MolWt: 918.09 Num_heavy_atoms: 65
TPSA: 220.25 NumAromaticRings: 1

Unique Aglycone
AD46151
Formula: C27H35O7N

Smiles:
CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)c3cccnc3)C12C
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.67
AlogP: 2.09 Num_rotatable_bonds: 3
MolWt: 485.58 Num_heavy_atoms: 35
TPSA: 137.18 NumAromaticRings: 1

Sugarmoiety
SD00437

COC1CC(OC2C(C)OC(OC3C(C)OC(O)CC3OC)CC2OC)OC(C)C1O