Glycoside
...
GD140907

Name:
1-acetyl-3a,3b-dihydroxy-7-({4-hydroxy-5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyloxan-2-yl}oxy)-9a,11a-dimethyl-11-[(2-methylbut-2-enoyl)oxy]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-yl 2-methylbut-2-enoate

Formula:
C50H76O20

Smiles:
CC=C(C)C(=O)OC1C2C3(C)CCC(OC4CC(O)C(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(OC)C5O)C(C)O4)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)C(C)=CC

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

Sugarmoiety:
COC1C(O)C(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 7
HBD: 8 FractionCSP3: 0.82
AlogP: 0.93 Num_rotatable_bonds: 13
MolWt: 997.14 Num_heavy_atoms: 70
TPSA: 296.12 NumAromaticRings: 0

Unique Aglycone
AD51878
Formula: C31H44O8

Smiles:
CC=C(C)C(=O)OC1C2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(C(C)=O)C2(C)C1OC(=O)C(C)=CC
HBA: 8 RingCount: 4
HBD: 3 FractionCSP3: 0.71
AlogP: 3.72 Num_rotatable_bonds: 5
MolWt: 544.69 Num_heavy_atoms: 39
TPSA: 130.36 NumAromaticRings: 0

Sugarmoiety
SD02835

COC1C(O)C(OC2C(O)CC(O)OC2C)OC(C)C1OC1OC(CO)C(O)C(O)C1O